
Process information (Thu Sep 19 13:02:53 2024)
ID: 16048; threads 61; handles 1557; mem 758272.00 (6124680.00)kB; time: 3d 1h 6m 58s

MEMORY INFO: Memory PF:12538.0, Ph:7257.0, V:5981.0;  
MEMORY INFO: Process info - Handles: 1556, Memory: PF:740.5,peak PF: 966.5, WS: 199.7, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1015),V:178.2 (#35)
MEMORY INFO: Tracker: RED 181.0 (#16)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:02:53 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=1000000 peaks,xyz=1000000 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:55 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 2 peaks in the peak location table
2 peak locations are merged to 2 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 2 unindexed peaks to the CrysAlis peak table (2 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:55 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 8 peaks in the peak location table
8 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 11 peaks in the peak location table
11 peak locations are merged to 6 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 6 unindexed peaks to the CrysAlis peak table (6 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 16 peaks in the peak location table
16 peak locations are merged to 9 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 9 unindexed peaks to the CrysAlis peak table (9 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:56 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:57 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 27 peaks in the peak location table
27 peak locations are merged to 12 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 12 unindexed peaks to the CrysAlis peak table (12 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:57 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:57 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 35 peaks in the peak location table
35 peak locations are merged to 14 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 14 unindexed peaks to the CrysAlis peak table (14 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:57 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:58 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 52 peaks in the peak location table
52 peak locations are merged to 20 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 20 unindexed peaks to the CrysAlis peak table (20 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:58 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
34 peak differences on 10 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743778!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 34(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 158(sub) 10(all), aP(44, 0)   13.79   53.64  108.44 101.34  91.55  97.27 pr:  77885.99, r:   77885.99
Peak table: 500(sub) 34(all)
Best cell:   158 indexed, Niggli aP(44, 0):    13.79    53.64   108.44   101.34    91.55    97.27 prim:  77885.99, red:   77885.99
UM TTTSOLUTION  1:   2 158(sub) 10(all), aP(44, 0)   13.79   53.64  108.44 101.34  91.55  97.27 pr:  77885.99, r:   77885.99
Peak table: 500(sub) 34(all)
Best cell:   158 indexed, Niggli aP(44, 0):    13.79    53.64   108.44   101.34    91.55    97.27 prim:  77885.99, red:   77885.99
UM TTTSOLUTION  1:   3 158(sub) 10(all), aP(44, 0)   13.79   53.64  108.44 101.34  91.55  97.27 pr:  77885.99, r:   77885.99
Peak table: 500(sub) 34(all)
Best cell:   158 indexed, Niggli aP(44, 0):    13.79    53.64   108.44   101.34    91.55    97.27 prim:  77885.99, red:   77885.99
UM TTTSOLUTION  1:   4 158(sub) 10(all), aP(44, 0)   13.79   53.64  108.44 101.34  91.55  97.27 pr:  77885.99, r:   77885.99
Peak table: 500(sub) 34(all)
Best cell:   158 indexed, Niggli aP(44, 0):    13.79    53.64   108.44   101.34    91.55    97.27 prim:  77885.99, red:   77885.99
Make subset: 0.00106
Make T-vectors: 0.08323
Make unit cell: 0.07266
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 10 obs out of 34 (total:34,skipped:0) (29.41%)
   UB - matrix:
      -0.000911   -0.000413   -0.000123   (  0.000000    0.000001    0.000000 )
       0.000201   -0.000207    0.000186   (  0.000001    0.000001    0.000000 )
      -0.001583    0.000136    0.000080   (  0.000001    0.000001    0.000000 )
   M - matrix:
       0.000004    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.22(7)  53.27(18) 114.2(6)       
      99.1(3)  103.5(7)    95.0(5) 
      V = 76563(500) 
UB fit with 10 obs out of 34 (total:34,skipped:0) (29.41%)
   UB - matrix:
      -0.000934   -0.000414   -0.000133   (  0.000001    0.000000    0.000000 )
       0.000202   -0.000207    0.000185   (  0.000003    0.000000    0.000001 )
      -0.001721    0.000130    0.000028   (  0.000008    0.000000    0.000003 )
   M - matrix:
       0.000004    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.22(7)  53.27(18) 114.2(6)       
      99.1(3)  103.5(7)    95.0(5) 
      V = 76563(500) 
UB fit with 10 obs out of 34 (total:34,skipped:0) (29.41%)
   UB - matrix:
      -0.000934   -0.000414   -0.000133   (  0.000001    0.000000    0.000000 )
       0.000202   -0.000207    0.000185   (  0.000003    0.000000    0.000001 )
      -0.001721    0.000130    0.000028   (  0.000008    0.000000    0.000003 )
   M - matrix:
       0.000004    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.22(7)  53.27(18) 114.2(6)       
      99.1(3)  103.5(7)    95.0(5) 
      V = 76563(500) 
Primitive unit cell refinement
UB fit with 10 obs out of 34 (total:34,skipped:0) (29.41%)
   UB - matrix:
      -0.000934   -0.000414   -0.000133   (  0.000001    0.000000    0.000000 )
       0.000202   -0.000207    0.000185   (  0.000003    0.000000    0.000001 )
      -0.001721    0.000130    0.000028   (  0.000008    0.000000    0.000003 )
   M - matrix:
       0.000004    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.22(7)  53.27(18) 114.2(6)       
      99.1(3)  103.5(7)    95.0(5) 
      V = 76563(500) 
   UB - matrix:
      -0.000668   -0.000414   -0.000133   (  0.000000    0.000000    0.000000 )
      -0.000168   -0.000207    0.000185   (  0.000001    0.000000    0.000001 )
      -0.001777    0.000130    0.000028   (  0.000002    0.000000    0.000003 )
   M - matrix:
       0.000004    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 10 obs out of 34 (total:34,skipped:0) (29.41%)
    unit cell:
       13.22(3) 53.27(18) 111.0(4)       
      100.6(3)  90.1(6)    95.0(5) 
      V = 76563(300) 
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743778!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
UM TTTSOLUTION  1:   1 73(sub) 5(all), mI(27, 2)   55.09    7.88   56.70  89.94 111.81  90.37 pr:  11428.79, r:   22857.58
Peak table: 500(sub) 20(all)
Best cell:    73 indexed, Niggli mI(27, 2):    55.09     7.88    56.70    89.94   111.81    90.37 prim:  11428.79, red:   22857.58
UM TTTSOLUTION  1:   2 73(sub) 5(all), mI(27, 2)   55.09    7.88   56.70  89.94 111.81  90.37 pr:  11428.79, r:   22857.58
Peak table: 500(sub) 20(all)
Best cell:    73 indexed, Niggli mI(27, 2):    55.09     7.88    56.70    89.94   111.81    90.37 prim:  11428.79, red:   22857.58
UM TTTSOLUTION  1:   3 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:   4 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:   5 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:   6 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   7 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:   8 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   9 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:  10 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  11 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
UM TTTSOLUTION  1:  12 128(sub) 9(all), aP(31, 0)    9.91   13.43   16.01  68.21  76.87  68.48 pr:   1829.86, r:    1829.86
Peak table: 500(sub) 20(all)
Best cell:   128 indexed, Niggli aP(31, 0):     9.91    13.43    16.01    68.21    76.87    68.48 prim:   1829.86, red:    1829.86
Make subset: 0.00040
Make T-vectors: 0.02470
Make unit cell: 0.11464
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 9 obs out of 20 (total:20,skipped:0) (45.00%)
   UB - matrix:
      -0.001316   -0.001438    0.000493   (  0.000000    0.000000    0.000000 )
      -0.001167    0.000571    0.001387   (  0.000001    0.000000    0.000001 )
      -0.002099    0.001448   -0.000847   (  0.000002    0.000000    0.000003 )
   M - matrix:
       0.000008   -0.000003   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000003    0.000008   -0.000001   (  0.000001    0.000003    0.000001 )
      -0.000001   -0.000001    0.000001   (  0.000001    0.000001    0.000001 )
    unit cell:
      11(2)  10(2)  24(5)        
      71(20) 65(20) 60(18) 
      V = 2031(600) 
UB fit with 9 obs out of 20 (total:20,skipped:0) (45.00%)
   UB - matrix:
      -0.001208   -0.001787    0.000214   (  0.000129    0.000396    0.000321 )
      -0.001060    0.000236    0.001117   (  0.000095    0.000291    0.000236 )
      -0.002364    0.002285   -0.000174   (  0.000152    0.000465    0.000378 )
   M - matrix:
       0.000008   -0.000003   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000003    0.000008   -0.000001   (  0.000001    0.000003    0.000001 )
      -0.000001   -0.000001    0.000001   (  0.000001    0.000001    0.000001 )
    unit cell:
      11(2)  10(2)  24(5)        
      71(20) 65(20) 60(18) 
      V = 2031(600) 
UB fit with 9 obs out of 20 (total:20,skipped:0) (45.00%)
   UB - matrix:
      -0.001208   -0.001787    0.000214   (  0.000129    0.000396    0.000321 )
      -0.001060    0.000236    0.001117   (  0.000095    0.000291    0.000236 )
      -0.002364    0.002285   -0.000174   (  0.000152    0.000465    0.000378 )
   M - matrix:
       0.000008   -0.000003   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000003    0.000008   -0.000001   (  0.000001    0.000003    0.000001 )
      -0.000001   -0.000001    0.000001   (  0.000001    0.000001    0.000001 )
    unit cell:
      11(2)  10(2)  24(5)        
      71(20) 65(20) 60(18) 
      V = 2031(600) 
Primitive unit cell refinement
UB fit with 9 obs out of 20 (total:20,skipped:0) (45.00%)
   UB - matrix:
      -0.001208   -0.001787    0.000214   (  0.000129    0.000396    0.000321 )
      -0.001060    0.000236    0.001117   (  0.000095    0.000291    0.000236 )
      -0.002364    0.002285   -0.000174   (  0.000152    0.000465    0.000378 )
   M - matrix:
       0.000008   -0.000003   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000003    0.000008   -0.000001   (  0.000001    0.000003    0.000001 )
      -0.000001   -0.000001    0.000001   (  0.000001    0.000001    0.000001 )
    unit cell:
      11(2)  10(2)  24(5)        
      71(20) 65(20) 60(18) 
      V = 2031(600) 
   UB - matrix:
      -0.002781    0.000994    0.000214   (  0.000588    0.000193    0.000321 )
       0.000293   -0.000057    0.001117   (  0.000432    0.000142    0.000236 )
      -0.000253    0.002538   -0.000174   (  0.000691    0.000227    0.000378 )
   M - matrix:
       0.000008   -0.000003   -0.000000   (  0.000003    0.000002    0.000001 )
      -0.000003    0.000007   -0.000000   (  0.000002    0.000001    0.000001 )
      -0.000000   -0.000000    0.000001   (  0.000001    0.000001    0.000001 )
UB fit with 9 obs out of 20 (total:20,skipped:0) (45.00%)
    unit cell:
      10(2)  10(2)  22(5)        
      82(20) 83(19) 63(19) 
      V = 2031(600) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:58 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 66 peaks in the peak location table
66 peak locations are merged to 24 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 24 unindexed peaks to the CrysAlis peak table (24 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:58 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
34 peak differences on 12 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743778!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
UM TTTSOLUTION  1:   1 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:   2 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:   3 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:   4 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:   5 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:   6 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:   7 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:   8 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:   9 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:  10 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  11 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  12 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  13 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  14 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  15 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  16 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  17 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  18 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  19 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  20 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  21 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:  22 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  23 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  24 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  25 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  26 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  27 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  28 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  29 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  30 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  31 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  32 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  33 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:  34 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  35 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  36 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  37 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  38 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  39 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  40 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  41 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  42 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  43 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  44 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  45 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
UM TTTSOLUTION  1:  46 134(sub) 14(all), aP(31, 0)   14.98   29.58   30.10  85.95  79.18  89.33 pr:  13065.40, r:   13065.40
UM TTTSOLUTION  2:  47 144(sub) 14(all), aP(31, 0)   15.54   29.20   49.90  84.07  85.70  75.84 pr:  21809.42, r:   21809.42
UM TTTSOLUTION  3:  48 140(sub) 14(all), aP(31, 0)   33.04   36.21   68.55  80.10  89.15  74.09 pr:  77648.02, r:   77648.02
UM TTTSOLUTION  4:  49 116(sub) 14(all), aP(44, 0)   14.33   74.43   88.73 105.17  92.87  94.04 pr:  90878.85, r:   90878.85
UM TTTSOLUTION  5:  50 139(sub) 14(all), aP(31, 0)   36.13   49.76   75.53  86.45  88.62  83.95 pr: 134757.66, r:  134757.66
UM TTTSOLUTION  6:  51 117(sub) 12(all), aP(31, 0)   82.00   82.84   88.46  89.18  77.30  68.79 pr: 545088.91, r:  545088.91
Peak table: 500(sub) 34(all)
Best cell:   134 indexed, Niggli aP(31, 0):    14.98    29.58    30.10    85.95    79.18    89.33 prim:  13065.40, red:   13065.40
Make subset: 0.00034
Make T-vectors: 0.02924
Make unit cell: 0.11705
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 12 obs out of 34 (total:34,skipped:0) (35.29%)
   UB - matrix:
       0.001025    0.000663    0.000012   (  0.000588    0.000193    0.000321 )
       0.000019    0.000190   -0.000828   (  0.000432    0.000142    0.000236 )
      -0.001364    0.000499    0.000197   (  0.000691    0.000227    0.000378 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
UB fit with 12 obs out of 34 (total:34,skipped:0) (35.29%)
   UB - matrix:
       0.001027    0.000662    0.000009   (  0.000000    0.000000    0.000000 )
       0.000005    0.000184   -0.000852   (  0.000000    0.000000    0.000000 )
      -0.001496    0.000455    0.000013   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
UB fit with 14 obs out of 34 (total:34,skipped:0) (41.18%)
   UB - matrix:
       0.001027    0.000662    0.000009   (  0.000000    0.000000    0.000000 )
       0.000005    0.000184   -0.000852   (  0.000000    0.000000    0.000000 )
      -0.001496    0.000455    0.000013   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      14.35(5) 33.92(19) 33.3(2)       
      68.1(9)  82.1(6)   83.8(4) 
      V = 14870(120) 
Primitive unit cell refinement
UB fit with 12 obs out of 34 (total:34,skipped:0) (35.29%)
   UB - matrix:
       0.001025    0.000663    0.000012   (  0.000000    0.000000    0.000000 )
       0.000019    0.000190   -0.000828   (  0.000000    0.000000    0.000000 )
      -0.001364    0.000499    0.000197   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
   UB - matrix:
       0.001027    0.000662    0.000009   (  0.000000    0.000000    0.000000 )
       0.000005    0.000184   -0.000852   (  0.000000    0.000000    0.000000 )
      -0.001496    0.000455    0.000013   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 14 obs out of 34 (total:34,skipped:0) (41.18%)
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
? singular matrix due to nobs<3 (nobs:1,count:24,pRefineOrientODX_CRY)
UB fit with 1 obs out of 24 (total:24,skipped:0) (4.17%)
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
? singular matrix due to nobs<3 (nobs:1,count:24,pRefineOrientODX_CRY)
UB fit with 1 obs out of 24 (total:24,skipped:0) (4.17%)
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
? singular matrix due to nobs<3 (nobs:1,count:24,pRefineOrientODX_CRY)
UB fit with 1 obs out of 24 (total:24,skipped:0) (4.17%)
    unit cell:
      13.8310   31.1278   30.1202         
      78.0968   89.4379   89.8514   
      V = 12688.1573   
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 0.0%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 0.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 41.2%
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 0.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 41.2%
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 0.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 41.2%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 0.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 41.2%
FINDCENTERHKLSHIFT INFO: indexation on full set 0.0%; starting indexation 0.0%
FINDCENTERHKLSHIFT INFO: final x, y: 387.50, 192.50

? singular matrix due to nobs<3 (nobs:1,count:24,pRefineOrientODX_CRY)
UB fit with 1 obs out of 24 (total:24,skipped:0) (4.17%)
    unit cell:
      13.83(4) 31.13(14) 30.12(18)       
      78.1(8)  89.4(5)   89.9(3)   
      V = 12688(90) 
? singular matrix due to nobs<3 (nobs:1,count:24,pRefineOrientODX_CRY)
UB fit with 1 obs out of 24 (total:24,skipped:0) (4.17%)
    unit cell:
      13.83(4) 31.13(14) 30.12(18)       
      78.1(8)  89.4(5)   89.9(3)   
      V = 12688(90) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:02:59 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:02:59 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 93 peaks in the peak location table
93 peak locations are merged to 33 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 33 unindexed peaks to the CrysAlis peak table (33 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:02:59 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
66 peak differences on 15 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743779!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 66(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00194
Make T-vectors: 0.14163
Make unit cell: 0.06254
Primitive unit cell refinement
UB fit with 6 obs out of 66 (total:66,skipped:0) (9.09%)
   UB - matrix:
       0.001025    0.000663    0.000012   (  0.000010    0.000003    0.000014 )
       0.000019    0.000190   -0.000828   (  0.000003    0.000001    0.000005 )
      -0.001364    0.000499    0.000197   (  0.000001    0.000000    0.000001 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      14.98(6) 29.58(14) 30.10(18)       
      86.0(7)  79.2(6)   89.3(3)   
      V = 13065(100) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 6 obs out of 66 (total:66,skipped:0) (9.09%)
    unit cell:
      14.98(6) 29.58(14) 30.10(18)       
      86.0(7)  79.2(6)   89.3(3)   
      V = 13065(100) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743779!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 33(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00217
Make T-vectors: 0.11277
Make unit cell: 0.07614
   UB - matrix:
       0.001025    0.000663    0.000012   (  0.000010    0.000003    0.000014 )
       0.000019    0.000190   -0.000828   (  0.000003    0.000001    0.000005 )
      -0.001364    0.000499    0.000197   (  0.000001    0.000000    0.000001 )
   M - matrix:
       0.000003   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 1 obs out of 33 (total:33,skipped:0) (3.03%)
    unit cell:
      14.98(6) 29.58(14) 30.10(18)       
      86.0(7)  79.2(6)   89.3(3)   
      V = 13065(100) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
? singular matrix due to nobs<3 (nobs:2,count:33,pRefineOrientODX_CRY)
UB fit with 2 obs out of 33 (total:33,skipped:0) (6.06%)
    unit cell:
      13.83(4) 31.13(14) 30.12(18)       
      78.1(8)  89.4(5)   89.9(3)   
      V = 12688(90) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 109 peaks in the peak location table
109 peak locations are merged to 38 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 38 unindexed peaks to the CrysAlis peak table (38 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
70 peak differences on 17 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743780!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 70(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00194
Make T-vectors: 0.14007
Make unit cell: 0.07815
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743780!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 38(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00217
Make T-vectors: 0.12889
Make unit cell: 0.07911
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000010    0.000003    0.000014 )
       0.000000    0.025000    0.000000   (  0.000003    0.000001    0.000005 )
       0.000000    0.000000    0.025000   (  0.000001    0.000000    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000625    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 1 obs out of 38 (total:38,skipped:0) (2.63%)
    unit cell:
       1.0040(4)  1.00400(4)  1.00400(5)       
      90.000(10) 90.00(3)    90.000(10)  
      V = 1.0120(4) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 130 peaks in the peak location table
130 peak locations are merged to 48 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 48 unindexed peaks to the CrysAlis peak table (48 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:00 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
98 peak differences on 20 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743780!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 13(sub) 16(all), aP(31, 0)   14.53   14.66   41.36  80.34  83.50  75.38 pr:   8378.95, r:    8378.95
UM TTTSOLUTION  2:   2 13(sub) 16(all), aP(31, 0)   15.02   18.04   40.59  80.19  84.59  66.00 pr:   9897.87, r:    9897.87
UM TTTSOLUTION  3:   3 9(sub) 12(all), aP(44, 0)   33.42   40.16   41.70 108.65  95.11  96.78 pr:  52186.89, r:   52186.89
Peak table: 98(sub) 98(all)
Best cell:    13 indexed, Niggli aP(31, 0):    14.53    14.66    41.36    80.34    83.50    75.38 prim:   8378.95, red:    8378.95
Peak table: 98(sub) 98(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   4 17(sub) 20(all), aP(44, 0)    7.88   12.98   18.13 102.56  94.56 100.46 pr:   1765.66, r:    1765.66
UM TTTSOLUTION  2:   5 17(sub) 16(all), aP(31, 0)    8.16   14.51   19.02  78.77  84.48  76.37 pr:   2144.28, r:    2144.28
UM TTTSOLUTION  3:   6 14(sub) 14(all), aP(44, 0)    9.39   17.01   19.21 101.83  99.81 101.02 pr:   2876.78, r:    2876.78
UM TTTSOLUTION  4:   7 14(sub) 12(all), aP(44, 0)    7.74   16.22   20.50 109.17  99.22  90.97 pr:   2392.23, r:    2392.23
Peak table: 98(sub) 98(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.88    12.98    18.13   102.56    94.56   100.46 prim:   1765.66, red:    1765.66
UM TTTSOLUTION  1:   8 17(sub) 20(all), aP(44, 0)    7.88   12.98   18.13 102.56  94.56 100.46 pr:   1765.66, r:    1765.66
UM TTTSOLUTION  2:   9 21(sub) 20(all), aP(44, 0)    9.00   15.90   16.79  93.97  92.53  91.71 pr:   2393.41, r:    2393.41
UM TTTSOLUTION  3:  10 17(sub) 16(all), aP(31, 0)    8.16   14.51   19.02  78.77  84.48  76.37 pr:   2144.28, r:    2144.28
UM TTTSOLUTION  4:  11 19(sub) 16(all), aP(31, 0)   11.54   14.91   16.87  87.23  86.68  76.14 pr:   2812.01, r:    2812.01
Peak table: 98(sub) 98(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.88    12.98    18.13   102.56    94.56   100.46 prim:   1765.66, red:    1765.66
UM TTTSOLUTION  1:  12 17(sub) 20(all), aP(44, 0)    7.88   12.98   18.13 102.56  94.56 100.46 pr:   1765.66, r:    1765.66
UM TTTSOLUTION  2:  13 21(sub) 20(all), aP(44, 0)    9.00   15.90   16.79  93.97  92.53  91.71 pr:   2393.41, r:    2393.41
UM TTTSOLUTION  3:  14 20(sub) 20(all), aP(44, 0)   15.54   17.31   18.74  99.79  96.72 107.60 pr:   4659.90, r:    4659.90
UM TTTSOLUTION  4:  15 19(sub) 18(all), aP(31, 0)   18.02   18.98   23.49  69.81  86.70  78.15 pr:   7378.41, r:    7378.41
UM TTTSOLUTION  5:  16 17(sub) 16(all), aP(31, 0)    8.16   14.51   19.02  78.77  84.48  76.37 pr:   2144.28, r:    2144.28
UM TTTSOLUTION  6:  17 19(sub) 16(all), aP(31, 0)   11.54   14.91   16.87  87.23  86.68  76.14 pr:   2812.01, r:    2812.01
Peak table: 98(sub) 98(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.88    12.98    18.13   102.56    94.56   100.46 prim:   1765.66, red:    1765.66
UM TTTSOLUTION  1:  18 21(sub) 20(all), aP(44, 0)    9.00   15.90   16.79  93.97  92.53  91.71 pr:   2393.41, r:    2393.41
UM TTTSOLUTION  2:  19 19(sub) 18(all), aP(31, 0)   18.02   18.98   23.49  69.81  86.70  78.15 pr:   7378.41, r:    7378.41
UM TTTSOLUTION  3:  20 19(sub) 16(all), aP(31, 0)   11.54   14.91   16.87  87.23  86.68  76.14 pr:   2812.01, r:    2812.01
Peak table: 98(sub) 98(all)
Best cell:    21 indexed, Niggli aP(44, 0):     9.00    15.90    16.79    93.97    92.53    91.71 prim:   2393.41, red:    2393.41
UM TTTSOLUTION  1:  21 23(sub) 26(all), aP(31, 0)   16.00   16.78   19.08  84.07  69.82  86.94 pr:   4780.75, r:    4780.75
UM TTTSOLUTION  2:  22 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
UM TTTSOLUTION  3:  23 21(sub) 20(all), aP(44, 0)    9.00   15.90   16.79  93.97  92.53  91.71 pr:   2393.41, r:    2393.41
UM TTTSOLUTION  4:  24 19(sub) 18(all), aP(31, 0)   18.02   18.98   23.49  69.81  86.70  78.15 pr:   7378.41, r:    7378.41
UM TTTSOLUTION  5:  25 19(sub) 16(all), aP(31, 0)   11.54   14.91   16.87  87.23  86.68  76.14 pr:   2812.01, r:    2812.01
Peak table: 98(sub) 98(all)
Best cell:    23 indexed, Niggli aP(31, 0):    16.00    16.78    19.08    84.07    69.82    86.94 prim:   4780.75, red:    4780.75
UM TTTSOLUTION  1:  26 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  27 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  28 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  29 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  30 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  31 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  32 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  33 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  34 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
UM TTTSOLUTION  1:  35 25(sub) 24(all), aP(44, 0)   15.73   17.54   17.86  97.02 115.94 104.38 pr:   4140.56, r:    4140.56
Peak table: 98(sub) 98(all)
Best cell:    25 indexed, Niggli aP(44, 0):    15.73    17.54    17.86    97.02   115.94   104.38 prim:   4140.56, red:    4140.56
Make subset: 0.00001
Make T-vectors: 0.01165
Make unit cell: 0.13098
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 18 obs out of 98 (total:98,skipped:0) (18.37%)
   UB - matrix:
       0.000780   -0.001096    0.000098   (  0.000010    0.000003    0.000014 )
      -0.001170   -0.000669   -0.001580   (  0.000003    0.000001    0.000005 )
       0.001256    0.000836   -0.000348   (  0.000001    0.000000    0.000001 )
   M - matrix:
       0.000003    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000002    0.000000   (  0.000000    0.000000    0.000000 )
       0.000001    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
UB fit with 18 obs out of 98 (total:98,skipped:0) (18.37%)
   UB - matrix:
       0.000988   -0.001086    0.000317   (  0.000161    0.000008    0.000164 )
      -0.000873   -0.000655   -0.001265   (  0.000125    0.000006    0.000127 )
       0.001042    0.000825   -0.000582   (  0.000169    0.000008    0.000172 )
   M - matrix:
       0.000003    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000002    0.000000   (  0.000000    0.000000    0.000000 )
       0.000001    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
UB fit with 24 obs out of 98 (total:98,skipped:0) (24.49%)
   UB - matrix:
       0.000988   -0.001086    0.000317   (  0.000161    0.000008    0.000164 )
      -0.000873   -0.000655   -0.001265   (  0.000125    0.000006    0.000127 )
       0.001042    0.000825   -0.000582   (  0.000169    0.000008    0.000172 )
   M - matrix:
       0.000004    0.000001    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000000   (  0.000000    0.000000    0.000000 )
       0.000002    0.000000    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
      15.5(9)  16.8(8) 17(1)       
      88(4)   119(6)   100(4) 
      V = 3895(300) 
Primitive unit cell refinement
UB fit with 18 obs out of 98 (total:98,skipped:0) (18.37%)
   UB - matrix:
       0.000780   -0.001096    0.000098   (  0.000161    0.000008    0.000164 )
      -0.001170   -0.000669   -0.001580   (  0.000125    0.000006    0.000127 )
       0.001256    0.000836   -0.000348   (  0.000169    0.000008    0.000172 )
   M - matrix:
       0.000003    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000002    0.000000   (  0.000000    0.000000    0.000000 )
       0.000001    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
   UB - matrix:
       0.000988   -0.001086    0.000317   (  0.000161    0.000008    0.000164 )
      -0.000873   -0.000655   -0.001265   (  0.000125    0.000006    0.000127 )
       0.001042    0.000825   -0.000582   (  0.000169    0.000008    0.000172 )
   M - matrix:
       0.000003    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000002    0.000000   (  0.000000    0.000000    0.000000 )
       0.000001    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 24 obs out of 98 (total:98,skipped:0) (24.49%)
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 48 (total:48,skipped:0) (6.25%)
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 48 (total:48,skipped:0) (6.25%)
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 48 (total:48,skipped:0) (6.25%)
    unit cell:
      16(2)  17(1) 19(2)       
      87(7) 110(9) 99(7) 
      V = 4682(700) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 6.2%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 5.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.5%
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 5.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.5%
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 8.1%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.5%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 13.5%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.5%
FINDCENTERHKLSHIFT INFO: indexation on full set 6.2%; starting indexation 6.2%
FINDCENTERHKLSHIFT INFO: final x, y: 387.50, 192.50

? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 48 (total:48,skipped:0) (6.25%)
    unit cell:
      16.0(10)  16.8(8) 19(1)       
      87(5)    110(6)   99(4) 
      V = 4682(400) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 48 (total:48,skipped:0) (6.25%)
    unit cell:
      16.0(10)  16.8(8) 19(1)       
      87(5)    110(6)   99(4) 
      V = 4682(400) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:01 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:01 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 141 peaks in the peak location table
141 peak locations are merged to 51 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 51 unindexed peaks to the CrysAlis peak table (51 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:01 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
100 peak differences on 22 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743781!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 24(sub) 28(all), aP(44, 0)   13.72   16.13   23.92 103.42  94.90  93.25 pr:   5112.84, r:    5112.84
UM TTTSOLUTION  2:   2 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
Peak table: 100(sub) 100(all)
Best cell:    24 indexed, Niggli aP(44, 0):    13.72    16.13    23.92   103.42    94.90    93.25 prim:   5112.84, red:    5112.84
UM TTTSOLUTION  1:   3 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:   4 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:   5 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:   6 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:   7 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:   8 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:   9 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  10 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  11 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  12 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  13 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  4:  14 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:  15 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  16 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  17 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  4:  18 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  19 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  20 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  21 26(sub) 26(all), aP(31, 0)   38.68   39.74   44.19  76.95  83.50  76.05 pr:  64094.39, r:   64094.39
UM TTTSOLUTION  4:  22 26(sub) 24(all), aP(44, 0)   35.50   52.05   56.01 116.94  90.18  99.72 pr:  90580.21, r:   90580.21
UM TTTSOLUTION  5:  23 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  6:  24 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
UM TTTSOLUTION  7:  25 23(sub) 20(all), aP(31, 0)   11.49   15.29   23.55  86.74  89.68  86.16 pr:   4121.84, r:    4121.84
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:  26 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  27 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  28 26(sub) 26(all), aP(31, 0)   38.68   39.74   44.19  76.95  83.50  76.05 pr:  64094.39, r:   64094.39
UM TTTSOLUTION  4:  29 26(sub) 24(all), aP(44, 0)   35.50   52.05   56.01 116.94  90.18  99.72 pr:  90580.21, r:   90580.21
UM TTTSOLUTION  5:  30 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  6:  31 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
UM TTTSOLUTION  7:  32 23(sub) 20(all), aP(31, 0)   11.49   15.29   23.55  86.74  89.68  86.16 pr:   4121.84, r:    4121.84
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  33 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  34 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  35 26(sub) 26(all), aP(31, 0)   38.68   39.74   44.19  76.95  83.50  76.05 pr:  64094.39, r:   64094.39
UM TTTSOLUTION  4:  36 26(sub) 24(all), aP(44, 0)   35.50   52.05   56.01 116.94  90.18  99.72 pr:  90580.21, r:   90580.21
UM TTTSOLUTION  5:  37 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  6:  38 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
UM TTTSOLUTION  7:  39 23(sub) 20(all), aP(31, 0)   11.49   15.29   23.55  86.74  89.68  86.16 pr:   4121.84, r:    4121.84
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
UM TTTSOLUTION  1:  40 27(sub) 30(all), aP(44, 0)   15.02   16.20   23.71 103.15  91.40  96.50 pr:   5573.77, r:    5573.77
UM TTTSOLUTION  2:  41 30(sub) 26(all), mC(30, 2)   23.66  182.75   13.41  89.62  93.01  89.56 pr:  28946.10, r:   57892.20
UM TTTSOLUTION  3:  42 26(sub) 26(all), aP(31, 0)   38.68   39.74   44.19  76.95  83.50  76.05 pr:  64094.39, r:   64094.39
UM TTTSOLUTION  4:  43 26(sub) 24(all), aP(44, 0)   35.50   52.05   56.01 116.94  90.18  99.72 pr:  90580.21, r:   90580.21
UM TTTSOLUTION  5:  44 26(sub) 22(all), aP(31, 0)   16.52   16.59   23.68  81.62  75.76  74.28 pr:   6033.51, r:    6033.51
UM TTTSOLUTION  6:  45 23(sub) 22(all), aP(44, 0)   15.86   25.32   35.18  93.28  93.42  92.89 pr:  14063.09, r:   14063.09
UM TTTSOLUTION  7:  46 23(sub) 20(all), aP(31, 0)   11.49   15.29   23.55  86.74  89.68  86.16 pr:   4121.84, r:    4121.84
Peak table: 100(sub) 100(all)
Best cell:    27 indexed, Niggli aP(44, 0):    15.02    16.20    23.71   103.15    91.40    96.50 prim:   5573.77, red:    5573.77
Make subset: 0.00001
Make T-vectors: 0.00670
Make unit cell: 0.12885
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 28 obs out of 100 (total:100,skipped:0) (28.00%)
   UB - matrix:
       0.000877   -0.000319    0.000823   (  0.000088    0.000003    0.000088 )
      -0.001423   -0.000194    0.000514   (  0.000088    0.000003    0.000088 )
      -0.000214   -0.001558   -0.000492   (  0.000121    0.000005    0.000122 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       15.5(3) 16.14(18) 23.7(6)       
      103(2)   92(2)     93(2)   
      V = 5762(160) 
UB fit with 28 obs out of 100 (total:100,skipped:0) (28.00%)
   UB - matrix:
       0.000868   -0.000321    0.000824   (  0.000076    0.000003    0.000002 )
      -0.001365   -0.000195    0.000512   (  0.000028    0.000001    0.000001 )
      -0.000117   -0.001557   -0.000496   (  0.000066    0.000002    0.000002 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       15.5(3) 16.14(18) 23.7(6)       
      103(2)   92(2)     93(2)   
      V = 5762(160) 
UB fit with 30 obs out of 100 (total:100,skipped:0) (30.00%)
   UB - matrix:
       0.000882   -0.000321    0.000823   (  0.000072    0.000003    0.000002 )
      -0.001410   -0.000194    0.000514   (  0.000044    0.000002    0.000001 )
      -0.000055   -0.001558   -0.000499   (  0.000078    0.000003    0.000002 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   91(2)   91(2)   
      V = 5595(170) 
Primitive unit cell refinement
UB fit with 28 obs out of 100 (total:100,skipped:0) (28.00%)
   UB - matrix:
       0.000868   -0.000321    0.000824   (  0.000076    0.000003    0.000002 )
      -0.001365   -0.000195    0.000512   (  0.000028    0.000001    0.000001 )
      -0.000117   -0.001557   -0.000496   (  0.000066    0.000002    0.000002 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       15.5(3) 16.14(18) 23.7(6)       
      103(2)   92(2)     93(2)   
      V = 5762(160) 
   UB - matrix:
       0.000882   -0.000321    0.000823   (  0.000072    0.000003    0.000002 )
      -0.001410   -0.000194    0.000514   (  0.000044    0.000002    0.000001 )
      -0.000055   -0.001558   -0.000499   (  0.000078    0.000003    0.000002 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 30 obs out of 100 (total:100,skipped:0) (30.00%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   91(2)   91(2)   
      V = 5595(170) 
? singular matrix due to nobs<3 (nobs:1,count:51,pRefineOrientODX_CRY)
UB fit with 1 obs out of 51 (total:51,skipped:0) (1.96%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   91(2)   91(2)   
      V = 5595(170) 
? singular matrix due to nobs<3 (nobs:1,count:51,pRefineOrientODX_CRY)
UB fit with 1 obs out of 51 (total:51,skipped:0) (1.96%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   91(2)   91(2)   
      V = 5595(170) 
? singular matrix due to nobs<3 (nobs:1,count:51,pRefineOrientODX_CRY)
UB fit with 1 obs out of 51 (total:51,skipped:0) (1.96%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   91(2)   91(2)   
      V = 5595(170) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 2.0%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 4.1%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 30.0%
 New detector origin: x=384.423 y=202.123 (28.6% indexed)
 New detector origin: x=384.751 y=201.817 (32.7% indexed)
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 32.7%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 30.0%
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 17.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 30.0%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 15.6%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 30.0%
FINDCENTERHKLSHIFT INFO: indexation on full set 17.6%; starting indexation 2.0%
FINDCENTERHKLSHIFT INFO: final x, y: 384.75, 201.82

? singular matrix due to nobs<3 (nobs:1,count:51,pRefineOrientODX_CRY)
UB fit with 1 obs out of 51 (total:51,skipped:0) (1.96%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   90(2)   92(2)   
      V = 5595(170) 
? singular matrix due to nobs<3 (nobs:1,count:51,pRefineOrientODX_CRY)
UB fit with 1 obs out of 51 (total:51,skipped:0) (1.96%)
    unit cell:
       15.1(4) 16.1(2) 23.7(6)       
      104(2)   90(2)   92(2)   
      V = 5595(170) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 165 peaks in the peak location table
165 peak locations are merged to 59 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 59 unindexed peaks to the CrysAlis peak table (59 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
122 peak differences on 25 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743782!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:   2 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:   3 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:   4 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   5 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:   6 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   7 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:   8 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   9 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
UM TTTSOLUTION  1:  10 15(sub) 16(all), aP(31, 0)   40.19   57.95   75.01  67.77  81.78  83.41 pr: 159705.11, r:  159705.11
Peak table: 122(sub) 122(all)
Best cell:    15 indexed, Niggli aP(31, 0):    40.19    57.95    75.01    67.77    81.78    83.41 prim: 159705.11, red:  159705.11
Make subset: 0.00001
Make T-vectors: 0.00464
Make unit cell: 0.04820
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 14 obs out of 122 (total:122,skipped:0) (11.48%)
   UB - matrix:
      -0.000071    0.000425   -0.000259   (  0.000072    0.000003    0.000002 )
       0.000452   -0.000125   -0.000220   (  0.000044    0.000002    0.000001 )
      -0.000437   -0.000154   -0.000129   (  0.000078    0.000003    0.000002 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      44(1) 57(2) 75(2)       
      69(3) 84(3) 88(3) 
      V = 169953(9000) 
UB fit with 14 obs out of 122 (total:122,skipped:0) (11.48%)
   UB - matrix:
      -0.000072    0.000426   -0.000259   (  0.000022    0.000018    0.000002 )
       0.000421   -0.000101   -0.000216   (  0.000010    0.000008    0.000001 )
      -0.000391   -0.000189   -0.000135   (  0.000028    0.000023    0.000003 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      44(1) 57(2) 75(2)       
      69(3) 84(3) 88(3) 
      V = 169953(9000) 
UB fit with 16 obs out of 122 (total:122,skipped:0) (13.11%)
   UB - matrix:
      -0.000053    0.000411   -0.000261   (  0.000020    0.000016    0.000002 )
       0.000415   -0.000097   -0.000216   (  0.000008    0.000007    0.000001 )
      -0.000414   -0.000171   -0.000133   (  0.000025    0.000020    0.000003 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      43(1) 60(2) 75(2)       
      67(3) 85(2) 90(2) 
      V = 176791(9000) 
Primitive unit cell refinement
UB fit with 14 obs out of 122 (total:122,skipped:0) (11.48%)
   UB - matrix:
      -0.000072    0.000426   -0.000259   (  0.000022    0.000018    0.000002 )
       0.000421   -0.000101   -0.000216   (  0.000010    0.000008    0.000001 )
      -0.000391   -0.000189   -0.000135   (  0.000028    0.000023    0.000003 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      44(1) 57(2) 75(2)       
      69(3) 84(3) 88(3) 
      V = 169953(9000) 
   UB - matrix:
      -0.000053    0.000411   -0.000261   (  0.000020    0.000016    0.000002 )
       0.000415   -0.000097   -0.000216   (  0.000008    0.000007    0.000001 )
      -0.000414   -0.000171   -0.000133   (  0.000025    0.000020    0.000003 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 16 obs out of 122 (total:122,skipped:0) (13.11%)
    unit cell:
      43(1) 60(2) 75(2)       
      67(3) 85(2) 90(2) 
      V = 176791(9000) 
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743782!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 59(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00225
Make T-vectors: 0.15374
Make unit cell: 0.08067
   UB - matrix:
      -0.000053    0.000411   -0.000261   (  0.000020    0.000016    0.000002 )
       0.000415   -0.000097   -0.000216   (  0.000008    0.000007    0.000001 )
      -0.000414   -0.000171   -0.000133   (  0.000025    0.000020    0.000003 )
   M - matrix:
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 1 obs out of 59 (total:59,skipped:0) (1.69%)
    unit cell:
      43(1) 60(2) 75(2)       
      67(3) 85(2) 90(2) 
      V = 176791(9000) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
? singular matrix due to nobs<3 (nobs:2,count:59,pRefineOrientODX_CRY)
UB fit with 2 obs out of 59 (total:59,skipped:0) (3.39%)
    unit cell:
       15.09(9) 16.12(17) 23.67(18)       
      103.6(8)  90.5(6)   91.5(7)   
      V = 5595(80) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 189 peaks in the peak location table
189 peak locations are merged to 65 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 65 unindexed peaks to the CrysAlis peak table (65 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:02 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
130 peak differences on 28 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743782!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 18(sub) 18(all), aP(31, 0)   19.88   21.65   32.72  74.25  80.64  80.57 pr:  13263.93, r:   13263.93
Peak table: 130(sub) 130(all)
Best cell:    18 indexed, Niggli aP(31, 0):    19.88    21.65    32.72    74.25    80.64    80.57 prim:  13263.93, red:   13263.93
UM TTTSOLUTION  1:   2 18(sub) 18(all), aP(31, 0)   19.88   21.65   32.72  74.25  80.64  80.57 pr:  13263.93, r:   13263.93
Peak table: 130(sub) 130(all)
Best cell:    18 indexed, Niggli aP(31, 0):    19.88    21.65    32.72    74.25    80.64    80.57 prim:  13263.93, red:   13263.93
UM TTTSOLUTION  1:   3 18(sub) 18(all), aP(31, 0)   19.88   21.65   32.72  74.25  80.64  80.57 pr:  13263.93, r:   13263.93
Peak table: 130(sub) 130(all)
Best cell:    18 indexed, Niggli aP(31, 0):    19.88    21.65    32.72    74.25    80.64    80.57 prim:  13263.93, red:   13263.93
UM TTTSOLUTION  1:   4 18(sub) 18(all), aP(31, 0)   19.88   21.65   32.72  74.25  80.64  80.57 pr:  13263.93, r:   13263.93
UM TTTSOLUTION  2:   5 13(sub) 18(all), aP(31, 0)   22.16   23.66   40.19  84.97  83.35  63.79 pr:  18764.25, r:   18764.25
Peak table: 130(sub) 130(all)
Best cell:    18 indexed, Niggli aP(31, 0):    19.88    21.65    32.72    74.25    80.64    80.57 prim:  13263.93, red:   13263.93
Make subset: 0.00001
Make T-vectors: 0.00858
Make unit cell: 0.03261
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 20 obs out of 130 (total:130,skipped:0) (15.38%)
   UB - matrix:
      -0.001167   -0.000181    0.000404   (  0.000020    0.000016    0.000002 )
       0.000397   -0.001189    0.000237   (  0.000008    0.000007    0.000001 )
       0.000381    0.000168    0.000652   (  0.000025    0.000020    0.000003 )
   M - matrix:
       0.000002   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
UB fit with 20 obs out of 130 (total:130,skipped:0) (15.38%)
   UB - matrix:
      -0.001148   -0.000199    0.000405   (  0.000076    0.000072    0.000001 )
       0.000322   -0.001119    0.000236   (  0.000110    0.000105    0.000002 )
       0.000360    0.000188    0.000652   (  0.000037    0.000035    0.000001 )
   M - matrix:
       0.000002   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
UB fit with 18 obs out of 130 (total:130,skipped:0) (13.85%)
   UB - matrix:
      -0.001148   -0.000199    0.000405   (  0.000076    0.000072    0.000001 )
       0.000322   -0.001119    0.000236   (  0.000110    0.000105    0.000002 )
       0.000360    0.000188    0.000652   (  0.000037    0.000035    0.000001 )
   M - matrix:
       0.000002    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      21(1) 26(2) 32.6(9)       
      80(4) 78(3) 95(6)   
      V = 17267(1800) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 20 obs out of 130 (total:130,skipped:0) (15.38%)
   UB - matrix:
      -0.001167   -0.000181    0.000404   (  0.000076    0.000072    0.000001 )
       0.000397   -0.001189    0.000237   (  0.000110    0.000105    0.000002 )
       0.000381    0.000168    0.000652   (  0.000037    0.000035    0.000001 )
   M - matrix:
       0.000002   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
   UB - matrix:
      -0.001148   -0.000199    0.000405   (  0.000076    0.000072    0.000001 )
       0.000322   -0.001119    0.000236   (  0.000110    0.000105    0.000002 )
       0.000360    0.000188    0.000652   (  0.000037    0.000035    0.000001 )
   M - matrix:
       0.000002   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 18 obs out of 130 (total:130,skipped:0) (13.85%)
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 65 (total:65,skipped:0) (4.62%)
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 65 (total:65,skipped:0) (4.62%)
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 65 (total:65,skipped:0) (4.62%)
    unit cell:
      20.5(10) 23(2) 32.7(8)       
      75(4)    80(3) 85(5)   
      V = 14369(1500) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 4.6%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 6.9%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 15.4%
 New detector origin: x=393.799 y=184.689 (8.6% indexed)
 New detector origin: x=390.109 y=186.029 (10.3% indexed)
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 10.3%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 15.4%
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 15.5%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 15.4%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 24.1%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 15.4%
FINDCENTERHKLSHIFT INFO: indexation on full set 12.3%; starting indexation 4.6%
FINDCENTERHKLSHIFT INFO: final x, y: 390.11, 186.03

? singular matrix due to nobs<3 (nobs:2,count:65,pRefineOrientODX_CRY)
UB fit with 2 obs out of 65 (total:65,skipped:0) (3.08%)
    unit cell:
      25.5(8) 25.1(10)  34(1)       
      93(3)   66(4)    102(3) 
      V = 19535(1100) 
? singular matrix due to nobs<3 (nobs:2,count:65,pRefineOrientODX_CRY)
UB fit with 2 obs out of 65 (total:65,skipped:0) (3.08%)
    unit cell:
      25.5(8) 25.1(10)  34(1)       
      93(3)   66(4)    102(3) 
      V = 19535(1100) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 198 peaks in the peak location table
198 peak locations are merged to 68 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 68 unindexed peaks to the CrysAlis peak table (68 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
132 peak differences on 30 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743783!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 132(sub) 132(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 21(sub) 32(all), aP(31, 0)   10.32   24.16   37.27  78.61  84.02  85.92 pr:   9052.96, r:    9052.96
Peak table: 132(sub) 132(all)
Best cell:    21 indexed, Niggli aP(31, 0):    10.32    24.16    37.27    78.61    84.02    85.92 prim:   9052.96, red:    9052.96
UM TTTSOLUTION  1:   2 21(sub) 32(all), aP(31, 0)   10.32   24.16   37.27  78.61  84.02  85.92 pr:   9052.96, r:    9052.96
Peak table: 132(sub) 132(all)
Best cell:    21 indexed, Niggli aP(31, 0):    10.32    24.16    37.27    78.61    84.02    85.92 prim:   9052.96, red:    9052.96
UM TTTSOLUTION  1:   3 21(sub) 32(all), aP(31, 0)   10.32   24.16   37.27  78.61  84.02  85.92 pr:   9052.96, r:    9052.96
Peak table: 132(sub) 132(all)
Best cell:    21 indexed, Niggli aP(31, 0):    10.32    24.16    37.27    78.61    84.02    85.92 prim:   9052.96, red:    9052.96
UM TTTSOLUTION  1:   4 21(sub) 32(all), aP(31, 0)   10.32   24.16   37.27  78.61  84.02  85.92 pr:   9052.96, r:    9052.96
UM TTTSOLUTION  2:   5 17(sub) 14(all), aP(31, 0)   23.83   79.60   83.94  71.41  88.79  88.58 pr: 150832.28, r:  150832.28
UM TTTSOLUTION  3:   6 15(sub) 12(all), aP(44, 0)   22.08   25.28   81.78  94.90  95.90 108.72 pr:  42646.38, r:   42646.38
Peak table: 132(sub) 132(all)
Best cell:    21 indexed, Niggli aP(31, 0):    10.32    24.16    37.27    78.61    84.02    85.92 prim:   9052.96, red:    9052.96
Make subset: 0.00002
Make T-vectors: 0.01267
Make unit cell: 0.03720
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 30 obs out of 132 (total:132,skipped:0) (22.73%)
   UB - matrix:
       0.001586   -0.000302   -0.000492   (  0.000034    0.000031    0.000001 )
      -0.001865   -0.000201   -0.000328   (  0.000039    0.000036    0.000001 )
      -0.000031    0.000997   -0.000355   (  0.000064    0.000059    0.000002 )
   M - matrix:
       0.000005    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.88(17) 23.93(17) 37.3(6)       
      79.5(9)   83(1)     92(1)   
      V = 9472(190) 
UB fit with 30 obs out of 132 (total:132,skipped:0) (22.73%)
   UB - matrix:
       0.001455   -0.000304   -0.000494   (  0.000063    0.000002    0.000001 )
      -0.001802   -0.000199   -0.000328   (  0.000039    0.000001    0.000001 )
       0.000240    0.001005   -0.000352   (  0.000047    0.000001    0.000001 )
   M - matrix:
       0.000005    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.88(17) 23.93(17) 37.3(6)       
      79.5(9)   83(1)     92(1)   
      V = 9472(190) 
UB fit with 32 obs out of 132 (total:132,skipped:0) (24.24%)
   UB - matrix:
       0.001467   -0.000303   -0.000494   (  0.000047    0.000001    0.000001 )
      -0.001776   -0.000198   -0.000328   (  0.000031    0.000001    0.000000 )
       0.000254    0.001006   -0.000352   (  0.000035    0.000001    0.000000 )
   M - matrix:
       0.000005    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.96(13) 23.93(13) 37.4(4)       
      79.5(7)   82.2(10)  92.2(8) 
      V = 9529(150) 
Primitive unit cell refinement
UB fit with 30 obs out of 132 (total:132,skipped:0) (22.73%)
   UB - matrix:
       0.001455   -0.000304   -0.000494   (  0.000063    0.000002    0.000001 )
      -0.001802   -0.000199   -0.000328   (  0.000039    0.000001    0.000001 )
       0.000240    0.001005   -0.000352   (  0.000047    0.000001    0.000001 )
   M - matrix:
       0.000005    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.88(17) 23.93(17) 37.3(6)       
      79.5(9)   83(1)     92(1)   
      V = 9472(190) 
   UB - matrix:
      -0.001467    0.000303   -0.000494   (  0.000047    0.000001    0.000001 )
       0.001776    0.000198   -0.000328   (  0.000031    0.000001    0.000000 )
      -0.000254   -0.001006   -0.000352   (  0.000035    0.000001    0.000000 )
   M - matrix:
       0.000005    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 32 obs out of 132 (total:132,skipped:0) (24.24%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.8(10)  92.2(8) 
      V = 9529(150) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 68 (total:68,skipped:0) (17.65%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.8(10)  92.2(8) 
      V = 9529(150) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 68 (total:68,skipped:0) (17.65%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.8(10)  92.2(8) 
      V = 9529(150) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 68 (total:68,skipped:0) (17.65%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.8(10)  92.2(8) 
      V = 9529(150) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 17.6%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 20.6%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.2%
 New detector origin: x=388.007 y=201.924 (23.5% indexed)
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 23.5%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.2%
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 23.0%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.2%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 26.2%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.2%
FINDCENTERHKLSHIFT INFO: indexation on full set 20.6%; starting indexation 17.6%
FINDCENTERHKLSHIFT INFO: final x, y: 388.01, 201.92

? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 68 (total:68,skipped:0) (17.65%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.7(10)  92.2(8) 
      V = 9529(150) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 68 (total:68,skipped:0) (17.65%)
    unit cell:
       10.96(13) 23.93(13) 37.4(4)       
      100.5(7)   97.7(10)  92.2(8) 
      V = 9529(150) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 208 peaks in the peak location table
208 peak locations are merged to 71 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 71 unindexed peaks to the CrysAlis peak table (71 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:03 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
146 peak differences on 31 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743783!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 146(sub) 146(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02223
Make unit cell: 0.04047
Primitive unit cell refinement
UB fit with 30 obs out of 146 (total:146,skipped:0) (20.55%)
   UB - matrix:
       0.001455   -0.000304   -0.000494   (  0.000047    0.000001    0.000001 )
      -0.001802   -0.000199   -0.000328   (  0.000031    0.000001    0.000000 )
       0.000240    0.001005   -0.000352   (  0.000035    0.000001    0.000000 )
   M - matrix:
       0.000005    0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.02(13) 23.93(13) 37.4(4)       
      79.5(7)   82.4(10)  92.0(8) 
      V = 9586(150) 
   UB - matrix:
      -0.001455    0.000304   -0.000494   (  0.000047    0.000001    0.000001 )
       0.001768    0.000198   -0.000328   (  0.000031    0.000001    0.000000 )
      -0.000243   -0.001005   -0.000352   (  0.000034    0.000001    0.000000 )
   M - matrix:
       0.000005    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 32 obs out of 146 (total:146,skipped:0) (21.92%)
    unit cell:
       11.02(13) 23.93(13) 37.4(4)       
      100.5(7)   97.6(10)  92.0(8) 
      V = 9586(150) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743784!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTT INFO: pt expand to increase number of reflections (ioksetupdirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 71(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00215
Make T-vectors: 0.17400
Make unit cell: 0.09056
   UB - matrix:
      -0.001455    0.000304   -0.000494   (  0.000047    0.000001    0.000001 )
       0.001768    0.000198   -0.000328   (  0.000031    0.000001    0.000000 )
      -0.000243   -0.001005   -0.000352   (  0.000034    0.000001    0.000000 )
   M - matrix:
       0.000005    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000001    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 12 obs out of 71 (total:71,skipped:0) (16.90%)
    unit cell:
       11.02(13) 23.93(13) 37.4(4)       
      100.5(7)   97.6(10)  92.0(8) 
      V = 9586(150) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 71 (total:71,skipped:0) (16.90%)
    unit cell:
       10.96(13) 23.93(12) 37.4(4)       
      100.5(7)   97.7(10)  92.2(8) 
      V = 9529(150) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 218 peaks in the peak location table
218 peak locations are merged to 74 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 74 unindexed peaks to the CrysAlis peak table (74 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
148 peak differences on 33 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743784!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 14(sub) 12(all), aP(31, 0)   12.55   27.31   29.97  78.05  78.77  80.90 pr:   9785.53, r:    9785.53
Peak table: 148(sub) 148(all)
Best cell:    14 indexed, Niggli aP(31, 0):    12.55    27.31    29.97    78.05    78.77    80.90 prim:   9785.53, red:    9785.53
UM TTTSOLUTION  1:   2 14(sub) 12(all), aP(31, 0)   12.55   27.31   29.97  78.05  78.77  80.90 pr:   9785.53, r:    9785.53
Peak table: 148(sub) 148(all)
Best cell:    14 indexed, Niggli aP(31, 0):    12.55    27.31    29.97    78.05    78.77    80.90 prim:   9785.53, red:    9785.53
UM TTTSOLUTION  1:   3 14(sub) 12(all), aP(31, 0)   12.55   27.31   29.97  78.05  78.77  80.90 pr:   9785.53, r:    9785.53
Peak table: 148(sub) 148(all)
Best cell:    14 indexed, Niggli aP(31, 0):    12.55    27.31    29.97    78.05    78.77    80.90 prim:   9785.53, red:    9785.53
UM TTTSOLUTION  1:   4 14(sub) 12(all), aP(31, 0)   12.55   27.31   29.97  78.05  78.77  80.90 pr:   9785.53, r:    9785.53
Peak table: 148(sub) 148(all)
Best cell:    14 indexed, Niggli aP(31, 0):    12.55    27.31    29.97    78.05    78.77    80.90 prim:   9785.53, red:    9785.53
Make subset: 0.00003
Make T-vectors: 0.02161
Make unit cell: 0.05623
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 14 obs out of 148 (total:148,skipped:0) (9.46%)
   UB - matrix:
      -0.001255    0.000815   -0.000067   (  0.000047    0.000001    0.000001 )
       0.001584    0.000474   -0.000040   (  0.000031    0.000001    0.000000 )
       0.000370    0.000088   -0.000865   (  0.000034    0.000001    0.000000 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
UB fit with 14 obs out of 148 (total:148,skipped:0) (9.46%)
   UB - matrix:
      -0.001261    0.000811   -0.000062   (  0.000109    0.000003    0.000003 )
       0.001742    0.000471   -0.000043   (  0.000089    0.000003    0.000003 )
       0.000417    0.000087   -0.000866   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
UB fit with 12 obs out of 148 (total:148,skipped:0) (8.11%)
   UB - matrix:
      -0.001261    0.000811   -0.000062   (  0.000109    0.000003    0.000003 )
       0.001742    0.000471   -0.000043   (  0.000089    0.000003    0.000003 )
       0.000417    0.000087   -0.000866   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.3(3) 27.4(6) 30.07(15)       
      78(1)   76(1)   82(2)     
      V = 8771(300) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 14 obs out of 148 (total:148,skipped:0) (9.46%)
   UB - matrix:
      -0.001255    0.000815   -0.000067   (  0.000109    0.000003    0.000003 )
       0.001584    0.000474   -0.000040   (  0.000089    0.000003    0.000003 )
       0.000370    0.000088   -0.000865   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
   UB - matrix:
      -0.001261    0.000811   -0.000062   (  0.000109    0.000003    0.000003 )
       0.001742    0.000471   -0.000043   (  0.000089    0.000003    0.000003 )
       0.000417    0.000087   -0.000866   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 12 obs out of 148 (total:148,skipped:0) (8.11%)
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 74 (total:74,skipped:0) (4.05%)
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 74 (total:74,skipped:0) (4.05%)
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 74 (total:74,skipped:0) (4.05%)
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 2.7%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 1.4%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 8.1%
 New detector origin: x=379.605 y=194.748 (16.7% indexed)
 New detector origin: x=385.614 y=195.730 (20.8% indexed)
FINDCENTERHKLSHIFT INFO: indexation on full set 9.5%; starting indexation 2.7%
FINDCENTERHKLSHIFT INFO: final x, y: 385.61, 195.73

? singular matrix due to nobs<3 (nobs:2,count:74,pRefineOrientODX_CRY)
UB fit with 2 obs out of 74 (total:74,skipped:0) (2.70%)
    unit cell:
      11.3(3) 27.4(6) 30.07(15)       
      78(1)   76(1)   82(2)     
      V = 8771(300) 
? singular matrix due to nobs<3 (nobs:2,count:74,pRefineOrientODX_CRY)
UB fit with 2 obs out of 74 (total:74,skipped:0) (2.70%)
    unit cell:
      11.3(3) 27.4(6) 30.07(15)       
      78(1)   76(1)   82(2)     
      V = 8771(300) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 225 peaks in the peak location table
225 peak locations are merged to 76 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 76 unindexed peaks to the CrysAlis peak table (76 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:04 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
148 peak differences on 35 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743784!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02361
Make unit cell: 0.03157
Primitive unit cell refinement
UB fit with 14 obs out of 148 (total:148,skipped:0) (9.46%)
   UB - matrix:
      -0.001255    0.000815   -0.000067   (  0.000072    0.000002    0.000002 )
       0.001584    0.000474   -0.000040   (  0.000090    0.000003    0.000003 )
       0.000370    0.000088   -0.000865   (  0.000044    0.000001    0.000001 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
   UB - matrix:
      -0.001261    0.000811   -0.000062   (  0.000109    0.000003    0.000003 )
       0.001742    0.000471   -0.000043   (  0.000089    0.000003    0.000003 )
       0.000417    0.000087   -0.000866   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000005   -0.000000   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 12 obs out of 148 (total:148,skipped:0) (8.11%)
    unit cell:
      11.7(4) 27.3(8) 30.0(3)       
      79(2)   78(2)   83(3)   
      V = 9187(400) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743785!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
Peak table: 76(sub) 76(all)
Best cell:    13 indexed, Niggli aP(44, 0):     7.21     8.86     9.23    91.39   108.08    93.53 prim:    559.22, red:     559.22
UM TTTSOLUTION  1:   2 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  2:   3 9(sub) 19(all), aP(31, 0)   10.29   11.99   13.90  65.01  84.21  64.99 pr:   1401.57, r:    1401.57
UM TTTSOLUTION  3:   4 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  4:   5 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
Peak table: 76(sub) 76(all)
Best cell:    12 indexed, Niggli aP(44, 0):     9.37    10.56    13.25   109.33    93.28   104.71 prim:   1182.07, red:    1182.07
UM TTTSOLUTION  1:   6 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  2:   7 9(sub) 19(all), aP(31, 0)   10.29   11.99   13.90  65.01  84.21  64.99 pr:   1401.57, r:    1401.57
UM TTTSOLUTION  3:   8 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  4:   9 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
Peak table: 76(sub) 76(all)
Best cell:    12 indexed, Niggli aP(44, 0):     9.37    10.56    13.25   109.33    93.28   104.71 prim:   1182.07, red:    1182.07
UM TTTSOLUTION  1:  10 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  2:  11 9(sub) 19(all), aP(31, 0)   10.29   11.99   13.90  65.01  84.21  64.99 pr:   1401.57, r:    1401.57
UM TTTSOLUTION  3:  12 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  4:  13 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
Peak table: 76(sub) 76(all)
Best cell:    12 indexed, Niggli aP(44, 0):     9.37    10.56    13.25   109.33    93.28   104.71 prim:   1182.07, red:    1182.07
UM TTTSOLUTION  1:  14 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  2:  15 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  3:  16 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  4:  17 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
UM TTTSOLUTION  5:  18 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
UM TTTSOLUTION  6:  19 14(sub) 15(all), aP(44, 0)    6.80   12.41   24.59  99.40  94.64  91.54 pr:   2038.62, r:    2038.62
Peak table: 76(sub) 76(all)
Best cell:    14 indexed, Niggli aP(44, 0):     6.98    12.61    19.66    97.56   100.18    93.48 prim:   1681.93, red:    1681.93
UM TTTSOLUTION  1:  20 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  2:  21 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  3:  22 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  4:  23 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
UM TTTSOLUTION  5:  24 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
UM TTTSOLUTION  6:  25 14(sub) 15(all), aP(44, 0)    6.80   12.41   24.59  99.40  94.64  91.54 pr:   2038.62, r:    2038.62
Peak table: 76(sub) 76(all)
Best cell:    14 indexed, Niggli aP(44, 0):     6.98    12.61    19.66    97.56   100.18    93.48 prim:   1681.93, red:    1681.93
UM TTTSOLUTION  1:  26 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  2:  27 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  3:  28 15(sub) 19(all), aP(44, 0)   11.29   14.50   25.45  97.69  90.38 106.00 pr:   3961.63, r:    3961.63
UM TTTSOLUTION  4:  29 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  5:  30 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
UM TTTSOLUTION  6:  31 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
UM TTTSOLUTION  7:  32 14(sub) 15(all), aP(44, 0)    6.80   12.41   24.59  99.40  94.64  91.54 pr:   2038.62, r:    2038.62
Peak table: 76(sub) 76(all)
Best cell:    14 indexed, Niggli aP(44, 0):     6.98    12.61    19.66    97.56   100.18    93.48 prim:   1681.93, red:    1681.93
UM TTTSOLUTION  1:  33 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  2:  34 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  3:  35 15(sub) 19(all), aP(44, 0)   11.29   14.50   25.45  97.69  90.38 106.00 pr:   3961.63, r:    3961.63
UM TTTSOLUTION  4:  36 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  5:  37 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
UM TTTSOLUTION  6:  38 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
UM TTTSOLUTION  7:  39 14(sub) 15(all), aP(44, 0)    6.80   12.41   24.59  99.40  94.64  91.54 pr:   2038.62, r:    2038.62
Peak table: 76(sub) 76(all)
Best cell:    14 indexed, Niggli aP(44, 0):     6.98    12.61    19.66    97.56   100.18    93.48 prim:   1681.93, red:    1681.93
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  40 15(sub) 24(all), aP(31, 0)    7.25   11.93   18.42  72.63  87.26  75.69 pr:   1473.56, r:    1473.56
UM TTTSOLUTION  2:  41 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  3:  42 12(sub) 19(all), aP(44, 0)    9.37   10.56   13.25 109.33  93.28 104.71 pr:   1182.07, r:    1182.07
UM TTTSOLUTION  4:  43 15(sub) 19(all), aP(44, 0)   11.29   14.50   25.45  97.69  90.38 106.00 pr:   3961.63, r:    3961.63
UM TTTSOLUTION  5:  44 13(sub) 18(all), aP(44, 0)    7.21    8.86    9.23  91.39 108.08  93.53 pr:    559.22, r:     559.22
UM TTTSOLUTION  6:  45 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
UM TTTSOLUTION  7:  46 11(sub) 16(all), aP(31, 0)    7.65    9.47    9.89  75.36  81.95  85.40 pr:    686.03, r:     686.03
Peak table: 76(sub) 76(all)
Best cell:    15 indexed, Niggli aP(31, 0):     7.25    11.93    18.42    72.63    87.26    75.69 prim:   1473.56, red:    1473.56
UM TTTSOLUTION  1:  47 17(sub) 20(all), aP(31, 0)    9.34   11.80   13.84  71.21  76.00  81.32 pr:   1396.76, r:    1396.76
UM TTTSOLUTION  2:  48 14(sub) 20(all), aP(44, 0)    6.98   12.61   19.66  97.56 100.18  93.48 pr:   1681.93, r:    1681.93
UM TTTSOLUTION  3:  49 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
UM TTTSOLUTION  4:  50 15(sub) 19(all), aP(44, 0)   11.29   14.50   25.45  97.69  90.38 106.00 pr:   3961.63, r:    3961.63
UM TTTSOLUTION  5:  51 14(sub) 18(all), aP(31, 0)    5.72   13.06   13.80  65.75  83.48  81.30 pr:    928.13, r:     928.13
Peak table: 76(sub) 76(all)
Best cell:    17 indexed, Niggli aP(31, 0):     9.34    11.80    13.84    71.21    76.00    81.32 prim:   1396.76, red:    1396.76
UM TTTSOLUTION  1:  52 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  53 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  54 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  55 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  56 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  57 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  58 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTTSOLUTION  1:  59 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  60 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  61 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  62 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  63 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  64 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  65 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTTSOLUTION  1:  66 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  67 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  68 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  69 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  70 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  71 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  72 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTTSOLUTION  1:  73 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  74 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  75 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  76 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  77 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  78 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  79 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  80 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  81 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  82 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  83 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  84 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  85 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  86 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTTSOLUTION  1:  87 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  88 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  89 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  90 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  91 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  92 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7:  93 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  94 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2:  95 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3:  96 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4:  97 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5:  98 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6:  99 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7: 100 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
UM TTTSOLUTION  1: 101 23(sub) 25(all), aP(44, 0)    7.85   13.44   14.74 116.32  90.60 103.10 pr:   1346.22, r:    1346.22
UM TTTSOLUTION  2: 102 17(sub) 24(all), aP(44, 0)   13.79   18.65   21.62 107.11  98.03 100.27 pr:   5119.54, r:    5119.54
UM TTTSOLUTION  3: 103 18(sub) 22(all), aP(31, 0)   11.49   13.74   15.20  75.97  71.07  87.92 pr:   2199.53, r:    2199.53
UM TTTSOLUTION  4: 104 18(sub) 22(all), aP(31, 0)   13.18   14.97   18.26  72.26  76.99  66.83 pr:   3129.80, r:    3129.80
UM TTTSOLUTION  5: 105 19(sub) 21(all), aP(31, 0)   11.52   13.81   17.36  70.01  76.13  88.56 pr:   2515.36, r:    2515.36
UM TTTSOLUTION  6: 106 18(sub) 21(all), aP(44, 0)   13.84   17.38   18.00  94.11 101.87 100.77 pr:   4135.59, r:    4135.59
UM TTTSOLUTION  7: 107 20(sub) 20(all), aP(44, 0)   11.64   13.00   13.92 116.61 103.97 101.87 pr:   1704.07, r:    1704.07
Peak table: 76(sub) 76(all)
Best cell:    23 indexed, Niggli aP(44, 0):     7.85    13.44    14.74   116.32    90.60   103.10 prim:   1346.22, red:    1346.22
Make subset: 0.00001
Make T-vectors: 0.00707
Make unit cell: 0.18307
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 27 obs out of 76 (total:76,skipped:0) (35.53%)
   UB - matrix:
       0.000007    0.001801   -0.000129   (  0.000109    0.000003    0.000003 )
       0.001808    0.001181    0.001721   (  0.000089    0.000003    0.000003 )
       0.002773   -0.000110   -0.000831   (  0.000094    0.000003    0.000003 )
   M - matrix:
       0.000010    0.000002    0.000001   (  0.000001    0.000000    0.000001 )
       0.000002    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000005   (  0.000001    0.000000    0.000001 )
    unit cell:
        8.4(7) 14.3(6)  13.7(9)       
      121(5)   84(6)   109(5)   
      V = 1327(150) 
UB fit with 27 obs out of 76 (total:76,skipped:0) (35.53%)
   UB - matrix:
       0.000167    0.001813    0.000052   (  0.000131    0.000010    0.000135 )
       0.001904    0.001191    0.001821   (  0.000125    0.000010    0.000129 )
       0.002531   -0.000117   -0.001133   (  0.000242    0.000018    0.000250 )
   M - matrix:
       0.000010    0.000002    0.000001   (  0.000001    0.000000    0.000001 )
       0.000002    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000005   (  0.000001    0.000000    0.000001 )
    unit cell:
        8.4(7) 14.3(6)  13.7(9)       
      121(5)   84(6)   109(5)   
      V = 1327(150) 
UB fit with 25 obs out of 76 (total:76,skipped:0) (32.89%)
   UB - matrix:
       0.000167    0.001813    0.000052   (  0.000131    0.000010    0.000135 )
       0.001904    0.001191    0.001821   (  0.000125    0.000010    0.000129 )
       0.002531   -0.000117   -0.001133   (  0.000242    0.000018    0.000250 )
   M - matrix:
       0.000009    0.000002    0.000000   (  0.000001    0.000000    0.000001 )
       0.000002    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000000    0.000002    0.000005   (  0.000001    0.000000    0.000001 )
    unit cell:
        8.9(6) 14.2(6)  13.4(8)       
      120(5)   81(5)   111(5)   
      V = 1360(130) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 27 obs out of 76 (total:76,skipped:0) (35.53%)
   UB - matrix:
       0.000007    0.001801   -0.000129   (  0.000131    0.000010    0.000135 )
       0.001808    0.001181    0.001721   (  0.000125    0.000010    0.000129 )
       0.002773   -0.000110   -0.000831   (  0.000242    0.000018    0.000250 )
   M - matrix:
       0.000010    0.000002    0.000001   (  0.000001    0.000000    0.000001 )
       0.000002    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000005   (  0.000001    0.000000    0.000001 )
    unit cell:
        8.4(7) 14.3(6)  13.7(9)       
      121(5)   84(6)   109(5)   
      V = 1327(150) 
   UB - matrix:
       0.000167    0.001813    0.000052   (  0.000131    0.000010    0.000135 )
       0.001904    0.001191    0.001821   (  0.000125    0.000010    0.000129 )
       0.002531   -0.000117   -0.001133   (  0.000242    0.000018    0.000250 )
   M - matrix:
       0.000010    0.000002    0.000001   (  0.000001    0.000000    0.000001 )
       0.000002    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000005   (  0.000001    0.000000    0.000001 )
UB fit with 25 obs out of 76 (total:76,skipped:0) (32.89%)
    unit cell:
        8.4(7) 14.3(6)  13.7(9)       
      121(5)   84(6)   109(5)   
      V = 1327(150) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 232 peaks in the peak location table
232 peak locations are merged to 77 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 77 unindexed peaks to the CrysAlis peak table (77 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
148 peak differences on 36 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743785!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 148(sub) 148(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.03027
Make unit cell: 0.03279
Primitive unit cell refinement
UB fit with 20 obs out of 148 (total:148,skipped:0) (13.51%)
? illegal lattice constant (pCalcLatticeODX_CRY case ODX_CRY_CALCLATTICE_METRIC)
? illegal lattice constant (pCalcLatticeODX_CRY case ODX_CRY_CALCLATTICE_METRIC)
UB fit with 20 obs out of 148 (total:148,skipped:0) (13.51%)
    unit cell:
      7224(9) 3676(3) 7423(10)       
       116(5)   91(6)  103(5)  
      V = -0(160) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743785!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 11(sub) 11(all), aP(44, 0)   11.06   11.75   26.77  98.30  90.39  98.44 pr:   3402.66, r:    3402.66
Peak table: 77(sub) 77(all)
Best cell:    11 indexed, Niggli aP(44, 0):    11.06    11.75    26.77    98.30    90.39    98.44 prim:   3402.66, red:    3402.66
UM TTTSOLUTION  1:   2 14(sub) 18(all), aP(31, 0)   10.24   15.91   24.65  73.48  82.43  71.45 pr:   3645.39, r:    3645.39
Peak table: 77(sub) 77(all)
Best cell:    14 indexed, Niggli aP(31, 0):    10.24    15.91    24.65    73.48    82.43    71.45 prim:   3645.39, red:    3645.39
UM TTTSOLUTION  1:   3 14(sub) 18(all), aP(31, 0)   10.24   15.91   24.65  73.48  82.43  71.45 pr:   3645.39, r:    3645.39
UM TTTSOLUTION  2:   4 16(sub) 15(all), aP(31, 0)   10.87   13.81   31.16  86.17  81.29  80.13 pr:   4549.60, r:    4549.60
Peak table: 77(sub) 77(all)
Best cell:    14 indexed, Niggli aP(31, 0):    10.24    15.91    24.65    73.48    82.43    71.45 prim:   3645.39, red:    3645.39
UM TTTSOLUTION  1:   5 14(sub) 18(all), aP(31, 0)   10.24   15.91   24.65  73.48  82.43  71.45 pr:   3645.39, r:    3645.39
UM TTTSOLUTION  2:   6 16(sub) 15(all), aP(31, 0)   10.87   13.81   31.16  86.17  81.29  80.13 pr:   4549.60, r:    4549.60
Peak table: 77(sub) 77(all)
Best cell:    14 indexed, Niggli aP(31, 0):    10.24    15.91    24.65    73.48    82.43    71.45 prim:   3645.39, red:    3645.39
UM TTTSOLUTION  1:   7 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:   8 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  3:   9 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  10 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  11 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  3:  12 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  13 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  14 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  3:  15 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  16 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  17 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  3:  18 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  19 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  20 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  3:  21 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  22 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  23 24(sub) 23(all), aP(44, 0)   14.73   18.99   20.79 115.32  99.34  90.99 pr:   5161.68, r:    5161.68
UM TTTSOLUTION  3:  24 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  4:  25 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
UM TTTSOLUTION  5:  26 19(sub) 18(all), aP(44, 0)   14.01   14.98   17.08  96.80 113.94 112.02 pr:   2878.35, r:    2878.35
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  27 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  28 24(sub) 23(all), aP(44, 0)   14.73   18.99   20.79 115.32  99.34  90.99 pr:   5161.68, r:    5161.68
UM TTTSOLUTION  3:  29 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  4:  30 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
UM TTTSOLUTION  5:  31 19(sub) 18(all), aP(44, 0)   14.01   14.98   17.08  96.80 113.94 112.02 pr:   2878.35, r:    2878.35
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  32 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  33 24(sub) 23(all), aP(44, 0)   14.73   18.99   20.79 115.32  99.34  90.99 pr:   5161.68, r:    5161.68
UM TTTSOLUTION  3:  34 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  4:  35 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
UM TTTSOLUTION  5:  36 19(sub) 18(all), aP(44, 0)   14.01   14.98   17.08  96.80 113.94 112.02 pr:   2878.35, r:    2878.35
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  37 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  38 24(sub) 23(all), aP(44, 0)   14.73   18.99   20.79 115.32  99.34  90.99 pr:   5161.68, r:    5161.68
UM TTTSOLUTION  3:  39 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  4:  40 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
UM TTTSOLUTION  5:  41 19(sub) 18(all), aP(44, 0)   14.01   14.98   17.08  96.80 113.94 112.02 pr:   2878.35, r:    2878.35
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
UM TTTSOLUTION  1:  42 25(sub) 26(all), aP(31, 0)   13.50   18.16   18.48  63.67  81.61  71.77 pr:   3855.19, r:    3855.19
UM TTTSOLUTION  2:  43 24(sub) 23(all), aP(44, 0)   14.73   18.99   20.79 115.32  99.34  90.99 pr:   5161.68, r:    5161.68
UM TTTSOLUTION  3:  44 19(sub) 21(all), aP(44, 0)    7.24   12.69   16.63 108.05  96.00  93.26 pr:   1438.57, r:    1438.57
UM TTTSOLUTION  4:  45 18(sub) 19(all), aP(31, 0)   13.77   19.57   37.72  76.12  88.26  86.20 pr:   9843.86, r:    9843.86
UM TTTSOLUTION  5:  46 19(sub) 18(all), aP(44, 0)   14.01   14.98   17.08  96.80 113.94 112.02 pr:   2878.35, r:    2878.35
Peak table: 77(sub) 77(all)
Best cell:    25 indexed, Niggli aP(31, 0):    13.50    18.16    18.48    63.67    81.61    71.77 prim:   3855.19, red:    3855.19
Make subset: 0.00000
Make T-vectors: 0.00359
Make unit cell: 0.09946
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 26 obs out of 77 (total:77,skipped:0) (33.77%)
   UB - matrix:
       0.000704   -0.000511    0.001377   (  0.000131    0.000010    0.000135 )
       0.001703    0.000275   -0.000624   (  0.000125    0.000010    0.000129 )
      -0.000661    0.001498   -0.000104   (  0.000242    0.000018    0.000250 )
   M - matrix:
       0.000004   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000003   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      12.7(6) 18(1) 19(1)       
      62(7)   78(5) 73(5) 
      V = 3577(300) 
UB fit with 26 obs out of 77 (total:77,skipped:0) (33.77%)
   UB - matrix:
       0.000762   -0.000489    0.001324   (  0.000082    0.000040    0.000095 )
       0.001819    0.000331   -0.000765   (  0.000082    0.000040    0.000095 )
      -0.000628    0.001513   -0.000128   (  0.000127    0.000062    0.000146 )
   M - matrix:
       0.000004   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000003   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      12.7(6) 18(1) 19(1)       
      62(7)   78(5) 73(5) 
      V = 3577(300) 
UB fit with 26 obs out of 77 (total:77,skipped:0) (33.77%)
   UB - matrix:
       0.000789   -0.000476    0.001291   (  0.000081    0.000039    0.000092 )
       0.001809    0.000326   -0.000754   (  0.000076    0.000037    0.000087 )
      -0.000644    0.001508   -0.000102   (  0.000113    0.000055    0.000129 )
   M - matrix:
       0.000004   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000003   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      12.7(6) 17.9(9) 19(1)       
      63(6)   78(5)   73(5) 
      V = 3638(300) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 26 obs out of 77 (total:77,skipped:0) (33.77%)
   UB - matrix:
       0.000762   -0.000489    0.001324   (  0.000082    0.000040    0.000095 )
       0.001819    0.000331   -0.000765   (  0.000082    0.000040    0.000095 )
      -0.000628    0.001513   -0.000128   (  0.000127    0.000062    0.000146 )
   M - matrix:
       0.000004   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000003   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
      12.7(6) 18(1) 19(1)       
      62(7)   78(5) 73(5) 
      V = 3577(300) 
   UB - matrix:
       0.000789   -0.000476    0.001291   (  0.000081    0.000039    0.000092 )
       0.001809    0.000326   -0.000754   (  0.000076    0.000037    0.000087 )
      -0.000644    0.001508   -0.000102   (  0.000113    0.000055    0.000129 )
   M - matrix:
       0.000004   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000003   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 26 obs out of 77 (total:77,skipped:0) (33.77%)
    unit cell:
      12.7(6) 17.9(9) 19(1)       
      63(6)   78(5)   73(5) 
      V = 3638(300) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 240 peaks in the peak location table
240 peak locations are merged to 79 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 79 unindexed peaks to the CrysAlis peak table (79 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:05 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
150 peak differences on 37 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743785!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.03071
Make unit cell: 0.04125
Primitive unit cell refinement
UB fit with 12 obs out of 150 (total:150,skipped:0) (8.00%)
   UB - matrix:
       0.000762   -0.000489    0.001324   (  0.000081    0.000039    0.000092 )
       0.001819    0.000331   -0.000765   (  0.000076    0.000037    0.000087 )
      -0.000628    0.001513   -0.000128   (  0.000113    0.000055    0.000129 )
   M - matrix:
       0.000004    0.000000   -0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000004   -0.000003   (  0.000001    0.000001    0.000001 )
      -0.000000   -0.000003    0.000003   (  0.000001    0.000001    0.000001 )
    unit cell:
      13(4)  20(5)  23(8)        
      39(40) 89(20) 92(20) 
      V = 3946(1800) 
   UB - matrix:
       0.000810   -0.000457    0.001244   (  0.000369    0.000187    0.000458 )
       0.001744    0.000277   -0.000644   (  0.000358    0.000181    0.000444 )
       0.000059    0.001858   -0.000965   (  0.000320    0.000162    0.000397 )
   M - matrix:
       0.000004    0.000000   -0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000004   -0.000003   (  0.000001    0.000001    0.000001 )
      -0.000000   -0.000003    0.000003   (  0.000001    0.000001    0.000001 )
UB fit with 14 obs out of 150 (total:150,skipped:0) (9.33%)
    unit cell:
      13(4)  20(5)  23(8)        
      39(40) 89(20) 92(20) 
      V = 3946(1800) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743786!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 15(sub) 24(all), aP(31, 0)   10.64   14.64   20.79  76.12  83.49  74.29 pr:   3022.65, r:    3022.65
UM TTTSOLUTION  2:   2 16(sub) 19(all), aP(31, 0)    9.49   12.81   21.01  79.15  86.68  89.91 pr:   2504.35, r:    2504.35
Peak table: 79(sub) 79(all)
Best cell:    15 indexed, Niggli aP(31, 0):    10.64    14.64    20.79    76.12    83.49    74.29 prim:   3022.65, red:    3022.65
UM TTTSOLUTION  1:   3 15(sub) 24(all), aP(31, 0)   10.64   14.64   20.79  76.12  83.49  74.29 pr:   3022.65, r:    3022.65
UM TTTSOLUTION  2:   4 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:   5 16(sub) 23(all), aP(44, 0)   12.12   18.29   19.56 100.29 100.98  96.79 pr:   4136.47, r:    4136.47
UM TTTSOLUTION  4:   6 17(sub) 20(all), aP(31, 0)   12.86   20.45   20.55  63.27  78.72  77.15 pr:   4679.28, r:    4679.28
UM TTTSOLUTION  5:   7 17(sub) 20(all), aP(31, 0)   13.29   19.22   23.28  77.96  84.02  79.41 pr:   5700.20, r:    5700.20
UM TTTSOLUTION  6:   8 18(sub) 20(all), aP(31, 0)   13.23   22.76   25.50  72.59  75.18  87.16 pr:   7077.72, r:    7077.72
UM TTTSOLUTION  7:   9 16(sub) 19(all), aP(44, 0)   11.72   12.24   17.05 106.74 102.11  97.52 pr:   2241.55, r:    2241.55
Peak table: 79(sub) 79(all)
Best cell:    15 indexed, Niggli aP(31, 0):    10.64    14.64    20.79    76.12    83.49    74.29 prim:   3022.65, red:    3022.65
UM TTTSOLUTION  1:  10 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  11 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  12 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  13 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  14 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  15 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  16 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  17 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  18 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  19 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  20 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  21 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  22 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  23 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  24 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  25 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  26 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  27 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  28 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  29 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  30 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  31 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  32 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  33 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  34 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  35 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  36 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  37 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  38 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  39 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  40 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  41 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  42 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  43 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  44 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  45 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
UM TTTSOLUTION  1:  46 29(sub) 24(all), aP(31, 0)    8.14   10.51   32.28  85.81  85.85  68.03 pr:   2551.51, r:    2551.51
UM TTTSOLUTION  2:  47 21(sub) 25(all), aP(31, 0)   12.37   16.08   46.57  89.54  88.46  78.58 pr:   9076.73, r:    9076.73
UM TTTSOLUTION  3:  48 27(sub) 24(all), aP(31, 0)   10.49   22.34   31.28  82.15  89.41  84.90 pr:   7231.59, r:    7231.59
UM TTTSOLUTION  4:  49 20(sub) 22(all), aP(31, 0)    6.84    7.42   14.03  87.43  79.36  63.86 pr:    627.96, r:     627.96
Peak table: 79(sub) 79(all)
Best cell:    29 indexed, Niggli aP(31, 0):     8.14    10.51    32.28    85.81    85.85    68.03 prim:   2551.51, red:    2551.51
Make subset: 0.00001
Make T-vectors: 0.00329
Make unit cell: 0.14141
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 25 obs out of 79 (total:79,skipped:0) (31.65%)
   UB - matrix:
      -0.003274    0.001030   -0.000101   (  0.000369    0.000187    0.000458 )
       0.000579   -0.000237   -0.000770   (  0.000358    0.000181    0.000444 )
      -0.000139   -0.002352    0.000076   (  0.000320    0.000162    0.000397 )
   M - matrix:
       0.000012   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.8(2) 10.5(4) 32.1(6)       
      83(4)   82(2)   69(4)   
      V = 2434(110) 
UB fit with 25 obs out of 79 (total:79,skipped:0) (31.65%)
   UB - matrix:
      -0.003374    0.001062   -0.000072   (  0.000068    0.000023    0.000018 )
       0.000610   -0.000246   -0.000780   (  0.000058    0.000019    0.000016 )
      -0.000318   -0.002321    0.000125   (  0.000205    0.000069    0.000056 )
   M - matrix:
       0.000012   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.8(2) 10.5(4) 32.1(6)       
      83(4)   82(2)   69(4)   
      V = 2434(110) 
UB fit with 24 obs out of 79 (total:79,skipped:0) (30.38%)
   UB - matrix:
      -0.003381    0.001066   -0.000070   (  0.000067    0.000023    0.000018 )
       0.000604   -0.000242   -0.000777   (  0.000057    0.000019    0.000015 )
      -0.000277   -0.002344    0.000113   (  0.000184    0.000062    0.000050 )
   M - matrix:
       0.000012   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.8(2) 10.4(4) 32.2(6)       
      83(4)   82(2)   69(3)   
      V = 2427(100) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 25 obs out of 79 (total:79,skipped:0) (31.65%)
   UB - matrix:
      -0.003374    0.001062   -0.000072   (  0.000068    0.000023    0.000018 )
       0.000610   -0.000246   -0.000780   (  0.000058    0.000019    0.000016 )
      -0.000318   -0.002321    0.000125   (  0.000205    0.000069    0.000056 )
   M - matrix:
       0.000012   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.8(2) 10.5(4) 32.1(6)       
      83(4)   82(2)   69(4)   
      V = 2434(110) 
   UB - matrix:
       0.003397    0.001041    0.000092   (  0.000049    0.000023    0.000018 )
       0.000140   -0.000258    0.000791   (  0.000035    0.000016    0.000013 )
       0.000190   -0.002332   -0.000123   (  0.000117    0.000054    0.000043 )
   M - matrix:
       0.000012    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000007    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 24 obs out of 79 (total:79,skipped:0) (30.38%)
    unit cell:
       7.93(15) 10.4(3)  31.5(5)       
      92(3)     97(2)   110(2)   
      V = 2423(80) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:06 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:06 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 246 peaks in the peak location table
246 peak locations are merged to 83 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 83 unindexed peaks to the CrysAlis peak table (83 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:06 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
156 peak differences on 39 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743786!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.02468
Make unit cell: 0.03875
Primitive unit cell refinement
UB fit with 8 obs out of 156 (total:156,skipped:0) (5.13%)
   UB - matrix:
      -0.003374    0.001062   -0.000072   (  0.000049    0.000023    0.000018 )
       0.000610   -0.000246   -0.000780   (  0.000035    0.000016    0.000013 )
      -0.000318   -0.002321    0.000125   (  0.000117    0.000054    0.000043 )
   M - matrix:
       0.000015   -0.000001   -0.000001   (  0.000002    0.000001    0.000000 )
      -0.000001    0.000005   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000001   -0.000001    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.0(5) 13(2) 36(3)       
      59(14)  71(8) 75(8) 
      V = 2663(300) 
   UB - matrix:
       0.003555    0.001115    0.000041   (  0.000012    0.000005    0.000004 )
       0.000422   -0.000133    0.000682   (  0.000167    0.000074    0.000061 )
       0.000993   -0.001968   -0.000464   (  0.000408    0.000180    0.000149 )
   M - matrix:
       0.000014    0.000002   -0.000000   (  0.000001    0.000001    0.000000 )
       0.000002    0.000005    0.000001   (  0.000001    0.000001    0.000000 )
      -0.000000    0.000001    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 10 obs out of 156 (total:156,skipped:0) (6.41%)
    unit cell:
        7.0(4) 13(1)  35(3)       
      119(13)  82(6) 105(7) 
      V = 2663(300) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743786!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 18(sub) 23(all), aP(31, 0)    7.82    8.16   32.37  84.53  85.86  62.42 pr:   1821.19, r:    1821.19
UM TTTSOLUTION  2:   2 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
UM TTTSOLUTION  3:   3 22(sub) 21(all), aP(31, 0)   13.33   13.87   22.28  84.48  85.42  62.17 pr:   3624.19, r:    3624.19
UM TTTSOLUTION  4:   4 23(sub) 20(all), aP(44, 0)   12.81   13.74   14.56 106.46 101.63 114.29 pr:   2085.82, r:    2085.82
UM TTTSOLUTION  5:   5 17(sub) 20(all), aP(44, 0)   11.21   13.98   19.92  96.26 106.13  97.69 pr:   2936.75, r:    2936.75
UM TTTSOLUTION  6:   6 18(sub) 20(all), aP(44, 0)   10.50   10.61   30.08  92.69  98.96  98.02 pr:   3267.25, r:    3267.25
UM TTTSOLUTION  7:   7 16(sub) 19(all), aP(31, 0)   11.10   11.45   23.27  85.59  81.43  63.15 pr:   2608.58, r:    2608.58
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.82     8.16    32.37    84.53    85.86    62.42 prim:   1821.19, red:    1821.19
UM TTTSOLUTION  1:   8 18(sub) 23(all), aP(31, 0)    7.82    8.16   32.37  84.53  85.86  62.42 pr:   1821.19, r:    1821.19
UM TTTSOLUTION  2:   9 17(sub) 21(all), mP(35, 1)   18.17   13.84   20.68  90.17 111.18  90.63 pr:   4846.01, r:    4846.01
UM TTTSOLUTION  3:  10 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
UM TTTSOLUTION  4:  11 22(sub) 21(all), aP(31, 0)   13.33   13.87   22.28  84.48  85.42  62.17 pr:   3624.19, r:    3624.19
UM TTTSOLUTION  5:  12 23(sub) 20(all), aP(44, 0)   12.81   13.74   14.56 106.46 101.63 114.29 pr:   2085.82, r:    2085.82
UM TTTSOLUTION  6:  13 18(sub) 20(all), aP(44, 0)   10.50   10.61   30.08  92.69  98.96  98.02 pr:   3267.25, r:    3267.25
UM TTTSOLUTION  7:  14 16(sub) 19(all), aP(31, 0)   11.10   11.45   23.27  85.59  81.43  63.15 pr:   2608.58, r:    2608.58
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.82     8.16    32.37    84.53    85.86    62.42 prim:   1821.19, red:    1821.19
UM TTTSOLUTION  1:  15 18(sub) 23(all), aP(31, 0)    7.82    8.16   32.37  84.53  85.86  62.42 pr:   1821.19, r:    1821.19
UM TTTSOLUTION  2:  16 17(sub) 21(all), mP(35, 1)   18.17   13.84   20.68  90.17 111.18  90.63 pr:   4846.01, r:    4846.01
UM TTTSOLUTION  3:  17 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
UM TTTSOLUTION  4:  18 22(sub) 21(all), aP(31, 0)   13.33   13.87   22.28  84.48  85.42  62.17 pr:   3624.19, r:    3624.19
UM TTTSOLUTION  5:  19 23(sub) 20(all), aP(44, 0)   12.81   13.74   14.56 106.46 101.63 114.29 pr:   2085.82, r:    2085.82
UM TTTSOLUTION  6:  20 18(sub) 20(all), aP(44, 0)   10.50   10.61   30.08  92.69  98.96  98.02 pr:   3267.25, r:    3267.25
UM TTTSOLUTION  7:  21 16(sub) 19(all), aP(31, 0)   11.10   11.45   23.27  85.59  81.43  63.15 pr:   2608.58, r:    2608.58
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.82     8.16    32.37    84.53    85.86    62.42 prim:   1821.19, red:    1821.19
UM TTTSOLUTION  1:  22 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
UM TTTSOLUTION  2:  23 17(sub) 21(all), mP(35, 1)   18.17   13.84   20.68  90.17 111.18  90.63 pr:   4846.01, r:    4846.01
UM TTTSOLUTION  3:  24 22(sub) 21(all), aP(31, 0)   13.33   13.87   22.28  84.48  85.42  62.17 pr:   3624.19, r:    3624.19
UM TTTSOLUTION  4:  25 23(sub) 20(all), aP(44, 0)   12.81   13.74   14.56 106.46 101.63 114.29 pr:   2085.82, r:    2085.82
UM TTTSOLUTION  5:  26 16(sub) 19(all), aP(31, 0)   11.10   11.45   23.27  85.59  81.43  63.15 pr:   2608.58, r:    2608.58
UM TTTSOLUTION  6:  27 20(sub) 19(all), aP(31, 0)   13.31   15.03   17.63  79.73  83.29  67.90 pr:   3208.46, r:    3208.46
UM TTTSOLUTION  7:  28 21(sub) 17(all), aP(44, 0)   11.29   13.46   13.63 106.65  99.54 102.01 pr:   1884.46, r:    1884.46
Peak table: 83(sub) 83(all)
Best cell:    19 indexed, Niggli aP(31, 0):    10.83    11.23    12.65    69.64    83.30    87.11 prim:   1431.86, red:    1431.86
UM TTTSOLUTION  1:  29 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
UM TTTSOLUTION  2:  30 17(sub) 21(all), mP(35, 1)   18.17   13.84   20.68  90.17 111.18  90.63 pr:   4846.01, r:    4846.01
UM TTTSOLUTION  3:  31 22(sub) 21(all), aP(31, 0)   13.33   13.87   22.28  84.48  85.42  62.17 pr:   3624.19, r:    3624.19
UM TTTSOLUTION  4:  32 23(sub) 20(all), aP(44, 0)   12.81   13.74   14.56 106.46 101.63 114.29 pr:   2085.82, r:    2085.82
UM TTTSOLUTION  5:  33 16(sub) 19(all), aP(31, 0)   11.10   11.45   23.27  85.59  81.43  63.15 pr:   2608.58, r:    2608.58
UM TTTSOLUTION  6:  34 20(sub) 19(all), aP(31, 0)   13.31   15.03   17.63  79.73  83.29  67.90 pr:   3208.46, r:    3208.46
UM TTTSOLUTION  7:  35 20(sub) 19(all), aP(31, 0)   18.60   19.59   29.36  71.81  78.89  86.47 pr:   9972.74, r:    9972.74
Peak table: 83(sub) 83(all)
Best cell:    19 indexed, Niggli aP(31, 0):    10.83    11.23    12.65    69.64    83.30    87.11 prim:   1431.86, red:    1431.86
UM TTTSOLUTION  1:  36 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  37 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  3:  38 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  4:  39 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
UM TTTSOLUTION  5:  40 19(sub) 21(all), mP(34, 1)    6.90   32.39   12.30  90.28  91.57  90.41 pr:   2748.82, r:    2748.82
UM TTTSOLUTION  6:  41 17(sub) 21(all), mP(35, 1)   18.17   13.84   20.68  90.17 111.18  90.63 pr:   4846.01, r:    4846.01
UM TTTSOLUTION  7:  42 19(sub) 21(all), aP(31, 0)   10.83   11.23   12.65  69.64  83.30  87.11 pr:   1431.86, r:    1431.86
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTTSOLUTION  1:  43 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  44 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  45 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  46 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  47 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  48 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
UM TTTSOLUTION  7:  49 17(sub) 22(all), aP(31, 0)   13.87   14.12   19.43  75.16  79.47  60.87 pr:   3205.22, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTTSOLUTION  1:  50 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  51 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  52 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  53 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  54 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  55 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
UM TTTSOLUTION  7:  56 17(sub) 22(all), aP(31, 0)   13.87   14.12   19.43  75.16  79.47  60.87 pr:   3205.22, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTTSOLUTION  1:  57 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  58 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  59 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  60 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  61 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  62 21(sub) 23(all), aP(31, 0)    8.65   14.28   35.13  87.85  88.13  81.24 pr:   4286.10, r:    4286.10
UM TTTSOLUTION  7:  63 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  64 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  65 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  66 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  67 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  68 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  69 21(sub) 23(all), aP(31, 0)    8.65   14.28   35.13  87.85  88.13  81.24 pr:   4286.10, r:    4286.10
UM TTTSOLUTION  7:  70 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTTSOLUTION  1:  71 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  72 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  73 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  74 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  75 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  76 21(sub) 23(all), aP(31, 0)    8.65   14.28   35.13  87.85  88.13  81.24 pr:   4286.10, r:    4286.10
UM TTTSOLUTION  7:  77 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  78 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  79 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  80 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  81 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  82 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  83 21(sub) 23(all), aP(31, 0)    8.65   14.28   35.13  87.85  88.13  81.24 pr:   4286.10, r:    4286.10
UM TTTSOLUTION  7:  84 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTTSOLUTION  1:  85 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  2:  86 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  3:  87 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  4:  88 19(sub) 24(all), aP(44, 0)    7.79   11.59   14.17 103.62  90.85  92.78 pr:   1241.31, r:    1241.31
UM TTTSOLUTION  5:  89 21(sub) 23(all), aP(31, 0)   13.69   13.74   13.82  72.61  60.43  64.64 pr:   2030.96, r:    2030.96
UM TTTSOLUTION  6:  90 21(sub) 23(all), aP(31, 0)    8.65   14.28   35.13  87.85  88.13  81.24 pr:   4286.10, r:    4286.10
UM TTTSOLUTION  7:  91 17(sub) 22(all), mI(37, 2)   12.33    6.94   37.79  89.66  97.44  90.29 pr:   1602.61, r:    3205.22
Peak table: 83(sub) 83(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.77    10.56    11.89   109.45    94.22    97.47 prim:    904.64, red:     904.64
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  92 18(sub) 26(all), aP(31, 0)    7.19    7.48    8.94  87.07  89.24  81.65 pr:    474.46, r:     474.46
UM TTTSOLUTION  2:  93 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  3:  94 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  4:  95 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  5:  96 16(sub) 25(all), aP(31, 0)    7.04    7.86   10.03  82.37  84.23  75.84 pr:    532.49, r:     532.49
UM TTTSOLUTION  6:  97 16(sub) 24(all), aP(31, 0)    6.93    7.78   12.35  80.69  82.15  65.64 pr:    596.38, r:     596.38
UM TTTSOLUTION  7:  98 19(sub) 24(all), aP(31, 0)    6.97    7.28   15.14  87.98  89.03  62.66 pr:    681.76, r:     681.76
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.19     7.48     8.94    87.07    89.24    81.65 prim:    474.46, red:     474.46
UM TTTSOLUTION  1:  99 18(sub) 26(all), aP(31, 0)    7.19    7.48    8.94  87.07  89.24  81.65 pr:    474.46, r:     474.46
UM TTTSOLUTION  2: 100 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  3: 101 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  4: 102 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  5: 103 16(sub) 25(all), aP(31, 0)    7.04    7.86   10.03  82.37  84.23  75.84 pr:    532.49, r:     532.49
UM TTTSOLUTION  6: 104 18(sub) 24(all), aP(31, 0)    6.82    7.81   12.39  81.39  82.36  65.96 pr:    593.86, r:     593.86
UM TTTSOLUTION  7: 105 19(sub) 24(all), aP(31, 0)    6.97    7.28   15.14  87.98  89.03  62.66 pr:    681.76, r:     681.76
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.19     7.48     8.94    87.07    89.24    81.65 prim:    474.46, red:     474.46
UM TTTSOLUTION  1: 106 18(sub) 26(all), aP(31, 0)    7.19    7.48    8.94  87.07  89.24  81.65 pr:    474.46, r:     474.46
UM TTTSOLUTION  2: 107 21(sub) 27(all), aP(31, 0)   10.72   15.15   15.43  62.64  73.23  72.69 pr:   2089.93, r:    2089.93
UM TTTSOLUTION  3: 108 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  4: 109 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  5: 110 19(sub) 26(all), aP(31, 0)   12.27   13.01   13.71  62.63  89.63  70.87 pr:   1809.29, r:    1809.29
UM TTTSOLUTION  6: 111 16(sub) 25(all), aP(31, 0)    7.04    7.86   10.03  82.37  84.23  75.84 pr:    532.49, r:     532.49
UM TTTSOLUTION  7: 112 18(sub) 24(all), aP(31, 0)    6.82    7.81   12.39  81.39  82.36  65.96 pr:    593.86, r:     593.86
Peak table: 83(sub) 83(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.19     7.48     8.94    87.07    89.24    81.65 prim:    474.46, red:     474.46
UM TTTSOLUTION  1: 113 21(sub) 28(all), aP(44, 0)    7.33   12.01   15.39 107.30  96.60 104.38 pr:   1225.81, r:    1225.81
UM TTTSOLUTION  2: 114 20(sub) 26(all), aP(31, 0)    6.97    7.62    9.93  79.10  73.90  62.79 pr:    449.59, r:     449.59
UM TTTSOLUTION  3: 115 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  4: 116 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  5: 117 24(sub) 26(all), aP(31, 0)   10.69   15.00   15.32  62.21  73.60  72.96 pr:   2047.82, r:    2047.82
UM TTTSOLUTION  6: 118 21(sub) 20(all), mP(35, 1)   12.89    7.26   16.25  90.48 107.14  90.46 pr:   1452.62, r:    1452.62
Peak table: 83(sub) 83(all)
Best cell:    21 indexed, Niggli aP(44, 0):     7.33    12.01    15.39   107.30    96.60   104.38 prim:   1225.81, red:    1225.81
UM TTTSOLUTION  1: 119 21(sub) 28(all), aP(44, 0)    7.33   12.01   15.39 107.30  96.60 104.38 pr:   1225.81, r:    1225.81
UM TTTSOLUTION  2: 120 20(sub) 26(all), aP(31, 0)    6.97    7.62    9.93  79.10  73.90  62.79 pr:    449.59, r:     449.59
UM TTTSOLUTION  3: 121 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  4: 122 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  5: 123 24(sub) 26(all), aP(31, 0)   10.69   15.00   15.32  62.21  73.60  72.96 pr:   2047.82, r:    2047.82
UM TTTSOLUTION  6: 124 21(sub) 20(all), mP(35, 1)   12.89    7.26   16.25  90.48 107.14  90.46 pr:   1452.62, r:    1452.62
Peak table: 83(sub) 83(all)
Best cell:    21 indexed, Niggli aP(44, 0):     7.33    12.01    15.39   107.30    96.60   104.38 prim:   1225.81, red:    1225.81
UM TTTSOLUTION  1: 125 21(sub) 28(all), aP(44, 0)    7.33   12.01   15.39 107.30  96.60 104.38 pr:   1225.81, r:    1225.81
UM TTTSOLUTION  2: 126 20(sub) 26(all), aP(31, 0)    6.97    7.62    9.93  79.10  73.90  62.79 pr:    449.59, r:     449.59
UM TTTSOLUTION  3: 127 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  4: 128 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  5: 129 24(sub) 26(all), aP(31, 0)   10.69   15.00   15.32  62.21  73.60  72.96 pr:   2047.82, r:    2047.82
UM TTTSOLUTION  6: 130 17(sub) 25(all), aP(31, 0)   14.29   16.08   16.34  63.55  77.13  76.77 pr:   3240.83, r:    3240.83
UM TTTSOLUTION  7: 131 19(sub) 21(all), aP(44, 0)   12.64   13.29   13.73 116.56  93.83 113.86 pr:   1799.37, r:    1799.37
Peak table: 83(sub) 83(all)
Best cell:    21 indexed, Niggli aP(44, 0):     7.33    12.01    15.39   107.30    96.60   104.38 prim:   1225.81, red:    1225.81
UM TTTSOLUTION  1: 132 21(sub) 28(all), aP(44, 0)    7.33   12.01   15.39 107.30  96.60 104.38 pr:   1225.81, r:    1225.81
UM TTTSOLUTION  2: 133 20(sub) 26(all), aP(31, 0)    6.97    7.62    9.93  79.10  73.90  62.79 pr:    449.59, r:     449.59
UM TTTSOLUTION  3: 134 20(sub) 26(all), aP(44, 0)    7.77   10.56   11.89 109.45  94.22  97.47 pr:    904.64, r:     904.64
UM TTTSOLUTION  4: 135 21(sub) 26(all), aP(44, 0)    8.16   11.11   11.70 106.25  93.50  90.38 pr:   1015.48, r:    1015.48
UM TTTSOLUTION  5: 136 24(sub) 26(all), aP(31, 0)   10.69   15.00   15.32  62.21  73.60  72.96 pr:   2047.82, r:    2047.82
UM TTTSOLUTION  6: 137 17(sub) 25(all), aP(31, 0)   14.29   16.08   16.34  63.55  77.13  76.77 pr:   3240.83, r:    3240.83
UM TTTSOLUTION  7: 138 19(sub) 21(all), aP(44, 0)   12.64   13.29   13.73 116.56  93.83 113.86 pr:   1799.37, r:    1799.37
Peak table: 83(sub) 83(all)
Best cell:    21 indexed, Niggli aP(44, 0):     7.33    12.01    15.39   107.30    96.60   104.38 prim:   1225.81, red:    1225.81
Make subset: 0.00001
Make T-vectors: 0.00567
Make unit cell: 0.25869
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 29 obs out of 83 (total:83,skipped:0) (34.94%)
   UB - matrix:
       0.001265    0.001958    0.001357   (  0.000012    0.000005    0.000004 )
      -0.001087    0.001132   -0.000991   (  0.000167    0.000074    0.000061 )
      -0.003204   -0.000381    0.000470   (  0.000408    0.000180    0.000149 )
   M - matrix:
       0.000014    0.000003    0.000001   (  0.000001    0.000000    0.000001 )
       0.000003    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000003   (  0.000001    0.000000    0.000000 )
    unit cell:
        7.3(4) 12.3(5)  15.8(7)       
      110(4)   96(4)   105(4)   
      V = 1249(90) 
UB fit with 29 obs out of 83 (total:83,skipped:0) (34.94%)
   UB - matrix:
       0.001337    0.001955    0.001408   (  0.000078    0.000007    0.000075 )
      -0.000997    0.001138   -0.000911   (  0.000090    0.000008    0.000087 )
      -0.003278   -0.000381    0.000432   (  0.000147    0.000013    0.000143 )
   M - matrix:
       0.000014    0.000003    0.000001   (  0.000001    0.000000    0.000001 )
       0.000003    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000003   (  0.000001    0.000000    0.000000 )
    unit cell:
        7.3(4) 12.3(5)  15.8(7)       
      110(4)   96(4)   105(4)   
      V = 1249(90) 
UB fit with 28 obs out of 83 (total:83,skipped:0) (33.73%)
   UB - matrix:
       0.001341    0.001956    0.001417   (  0.000075    0.000006    0.000073 )
      -0.001004    0.001136   -0.000925   (  0.000079    0.000007    0.000076 )
      -0.003280   -0.000382    0.000427   (  0.000149    0.000013    0.000145 )
   M - matrix:
       0.000014    0.000003    0.000001   (  0.000001    0.000000    0.000001 )
       0.000003    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000003   (  0.000001    0.000000    0.000000 )
    unit cell:
        7.2(4) 12.3(4)  15.7(6)       
      110(3)   96(4)   105(4)   
      V = 1238(80) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 29 obs out of 83 (total:83,skipped:0) (34.94%)
   UB - matrix:
       0.001337    0.001955    0.001408   (  0.000078    0.000007    0.000075 )
      -0.000997    0.001138   -0.000911   (  0.000090    0.000008    0.000087 )
      -0.003278   -0.000381    0.000432   (  0.000147    0.000013    0.000143 )
   M - matrix:
       0.000014    0.000003    0.000001   (  0.000001    0.000000    0.000001 )
       0.000003    0.000005    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000003   (  0.000001    0.000000    0.000000 )
    unit cell:
        7.3(4) 12.3(5)  15.8(7)       
      110(4)   96(4)   105(4)   
      V = 1249(90) 
   UB - matrix:
       0.000080   -0.000534    0.001424   (  0.000009    0.000057    0.000060 )
       0.000081   -0.002058   -0.000921   (  0.000012    0.000078    0.000083 )
       0.003704    0.000804    0.000421   (  0.000021    0.000134    0.000142 )
   M - matrix:
       0.000014    0.000003    0.000002   (  0.000000    0.000000    0.000001 )
       0.000003    0.000005    0.000001   (  0.000000    0.000000    0.000000 )
       0.000002    0.000001    0.000003   (  0.000001    0.000000    0.000000 )
UB fit with 27 obs out of 83 (total:83,skipped:0) (32.53%)
    unit cell:
        7.25(16) 12.3(5)  15.6(6)       
      108(4)     98(5)   105(4)   
      V = 1238(60) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:06 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:06 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 254 peaks in the peak location table
254 peak locations are merged to 85 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 85 unindexed peaks to the CrysAlis peak table (85 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:07 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
154 peak differences on 41 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743787!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 154(sub) 154(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.04005
Make unit cell: 0.04306
Primitive unit cell refinement
UB fit with 8 obs out of 154 (total:154,skipped:0) (5.19%)
? singular matrix (sInvertODX_CRY)
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 12 obs out of 154 (total:154,skipped:0) (7.79%)
    unit cell:
        7.25(16) 12.3(5)  15.8(6)       
      108(4)     99(5)   105(4)   
      V = 1249(60) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743787!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 85(sub) 85(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 17(sub) 19(all), aP(44, 0)   13.85   13.98   14.47 105.79  97.82 100.60 pr:   2597.97, r:    2597.97
Peak table: 85(sub) 85(all)
Best cell:    17 indexed, Niggli aP(44, 0):    13.85    13.98    14.47   105.79    97.82   100.60 prim:   2597.97, red:    2597.97
UM TTTSOLUTION  1:   2 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  2:   3 17(sub) 19(all), aP(44, 0)   13.85   13.98   14.47 105.79  97.82 100.60 pr:   2597.97, r:    2597.97
UM TTTSOLUTION  3:   4 18(sub) 17(all), aP(44, 0)    6.87   23.58   25.31 114.07  96.46  94.21 pr:   3685.42, r:    3685.42
UM TTTSOLUTION  4:   5 19(sub) 16(all), mP(35, 1)   12.77    9.73   25.77  90.76  92.42  90.20 pr:   3199.47, r:    3199.47
Peak table: 85(sub) 85(all)
Best cell:    23 indexed, Niggli mP(33, 1):     8.37    19.59    31.01    90.71    93.41    90.53 prim:   5075.34, red:    5075.34
UM TTTSOLUTION  1:   6 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  2:   7 17(sub) 19(all), aP(44, 0)   13.85   13.98   14.47 105.79  97.82 100.60 pr:   2597.97, r:    2597.97
UM TTTSOLUTION  3:   8 18(sub) 17(all), aP(44, 0)    6.87   23.58   25.31 114.07  96.46  94.21 pr:   3685.42, r:    3685.42
UM TTTSOLUTION  4:   9 19(sub) 16(all), mP(35, 1)   12.77    9.73   25.77  90.76  92.42  90.20 pr:   3199.47, r:    3199.47
Peak table: 85(sub) 85(all)
Best cell:    23 indexed, Niggli mP(33, 1):     8.37    19.59    31.01    90.71    93.41    90.53 prim:   5075.34, red:    5075.34
UM TTTSOLUTION  1:  10 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
Peak table: 85(sub) 85(all)
Best cell:    23 indexed, Niggli mP(33, 1):     8.37    19.59    31.01    90.71    93.41    90.53 prim:   5075.34, red:    5075.34
UM TTTSOLUTION  1:  11 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  2:  12 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  13 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  14 25(sub) 23(all), aP(44, 0)    8.46   10.20   11.92  92.06  91.22  91.29 pr:   1027.08, r:    1027.08
UM TTTSOLUTION  5:  15 22(sub) 23(all), aP(31, 0)    7.34   18.42   31.82  80.09  85.18  87.95 pr:   4222.36, r:    4222.36
UM TTTSOLUTION  6:  16 24(sub) 21(all), aP(31, 0)    5.95   11.75   13.03  65.95  85.18  78.53 pr:    815.54, r:     815.54
UM TTTSOLUTION  7:  17 23(sub) 21(all), aP(44, 0)   10.23   11.94   15.43 108.99 105.66  91.40 pr:   1702.00, r:    1702.00
Peak table: 85(sub) 85(all)
Best cell:    23 indexed, Niggli aP(31, 0):    10.78    15.17    15.20    61.68    71.33    74.64 prim:   2054.64, red:    2054.64
UM TTTSOLUTION  1:  18 19(sub) 27(all), aP(31, 0)    6.82    8.08   11.14  76.83  79.09  72.45 pr:    565.12, r:     565.12
UM TTTSOLUTION  2:  19 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  20 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  4:  21 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  5:  22 23(sub) 25(all), aP(44, 0)    7.79   12.15   12.84  93.85  99.85 100.64 pr:   1171.15, r:    1171.15
UM TTTSOLUTION  6:  23 18(sub) 24(all), aP(31, 0)   15.47   15.59   38.44  87.71  82.95  79.11 pr:   9034.68, r:    9034.68
UM TTTSOLUTION  7:  24 21(sub) 23(all), aP(31, 0)    6.82    7.40   14.05  87.13  78.27  64.37 pr:    625.76, r:     625.76
Peak table: 85(sub) 85(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.82     8.08    11.14    76.83    79.09    72.45 prim:    565.12, red:     565.12
UM TTTSOLUTION  1:  25 19(sub) 27(all), aP(31, 0)    6.82    8.08   11.14  76.83  79.09  72.45 pr:    565.12, r:     565.12
UM TTTSOLUTION  2:  26 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  27 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  4:  28 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  5:  29 23(sub) 25(all), aP(44, 0)    7.79   12.15   12.84  93.85  99.85 100.64 pr:   1171.15, r:    1171.15
UM TTTSOLUTION  6:  30 18(sub) 24(all), aP(31, 0)   15.47   15.59   38.44  87.71  82.95  79.11 pr:   9034.68, r:    9034.68
UM TTTSOLUTION  7:  31 21(sub) 23(all), aP(31, 0)    6.82    7.40   14.05  87.13  78.27  64.37 pr:    625.76, r:     625.76
Peak table: 85(sub) 85(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.82     8.08    11.14    76.83    79.09    72.45 prim:    565.12, red:     565.12
UM TTTSOLUTION  1:  32 19(sub) 27(all), aP(31, 0)    6.82    8.08   11.14  76.83  79.09  72.45 pr:    565.12, r:     565.12
UM TTTSOLUTION  2:  33 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  34 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  4:  35 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  5:  36 23(sub) 25(all), aP(44, 0)    7.79   12.15   12.84  93.85  99.85 100.64 pr:   1171.15, r:    1171.15
UM TTTSOLUTION  6:  37 18(sub) 24(all), aP(31, 0)   15.47   15.59   38.44  87.71  82.95  79.11 pr:   9034.68, r:    9034.68
UM TTTSOLUTION  7:  38 21(sub) 23(all), aP(31, 0)    6.82    7.40   14.05  87.13  78.27  64.37 pr:    625.76, r:     625.76
Peak table: 85(sub) 85(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.82     8.08    11.14    76.83    79.09    72.45 prim:    565.12, red:     565.12
UM TTTSOLUTION  1:  39 19(sub) 27(all), aP(31, 0)    6.82    8.08   11.14  76.83  79.09  72.45 pr:    565.12, r:     565.12
UM TTTSOLUTION  2:  40 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  41 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  4:  42 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  5:  43 23(sub) 25(all), aP(44, 0)    7.79   12.15   12.84  93.85  99.85 100.64 pr:   1171.15, r:    1171.15
UM TTTSOLUTION  6:  44 18(sub) 24(all), aP(31, 0)   15.47   15.59   38.44  87.71  82.95  79.11 pr:   9034.68, r:    9034.68
UM TTTSOLUTION  7:  45 21(sub) 23(all), aP(31, 0)    6.82    7.40   14.05  87.13  78.27  64.37 pr:    625.76, r:     625.76
Peak table: 85(sub) 85(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.82     8.08    11.14    76.83    79.09    72.45 prim:    565.12, red:     565.12
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  46 19(sub) 27(all), aP(31, 0)    6.82    8.08   11.14  76.83  79.09  72.45 pr:    565.12, r:     565.12
UM TTTSOLUTION  2:  47 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  48 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  4:  49 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  5:  50 23(sub) 25(all), aP(44, 0)    7.79   12.15   12.84  93.85  99.85 100.64 pr:   1171.15, r:    1171.15
UM TTTSOLUTION  6:  51 18(sub) 24(all), aP(31, 0)   15.47   15.59   38.44  87.71  82.95  79.11 pr:   9034.68, r:    9034.68
UM TTTSOLUTION  7:  52 21(sub) 23(all), aP(31, 0)    6.82    7.40   14.05  87.13  78.27  64.37 pr:    625.76, r:     625.76
Peak table: 85(sub) 85(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.82     8.08    11.14    76.83    79.09    72.45 prim:    565.12, red:     565.12
UM TTTSOLUTION  1:  53 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  54 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  55 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  56 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  57 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  58 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
UM TTTSOLUTION  7:  59 23(sub) 26(all), aP(31, 0)   12.30   13.32   24.74  82.35  85.91  75.92 pr:   3892.05, r:    3892.05
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTTSOLUTION  1:  60 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  61 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  62 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  63 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  64 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  65 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTTSOLUTION  1:  66 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  67 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  68 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  69 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  70 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  71 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTTSOLUTION  1:  72 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  73 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  74 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  75 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  76 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  77 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  78 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  79 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  80 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  81 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  82 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  83 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTTSOLUTION  1:  84 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  85 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  86 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  87 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  88 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  89 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  90 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  91 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  92 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  93 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5:  94 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6:  95 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
UM TTTSOLUTION  1:  96 22(sub) 26(all), aP(31, 0)    7.16   11.44   12.16  69.51  87.21  85.87 pr:    930.44, r:     930.44
UM TTTSOLUTION  2:  97 23(sub) 27(all), mP(33, 1)    8.37   19.59   31.01  90.71  93.41  90.53 pr:   5075.34, r:    5075.34
UM TTTSOLUTION  3:  98 25(sub) 27(all), aP(44, 0)   10.67   15.24   38.65  95.76  92.37 105.81 pr:   6002.21, r:    6002.21
UM TTTSOLUTION  4:  99 23(sub) 27(all), aP(31, 0)   10.78   15.17   15.20  61.68  71.33  74.64 pr:   2054.64, r:    2054.64
UM TTTSOLUTION  5: 100 21(sub) 26(all), aP(31, 0)    7.40   12.12   12.97  69.09  73.55  83.40 pr:   1041.32, r:    1041.32
UM TTTSOLUTION  6: 101 22(sub) 26(all), aP(44, 0)    7.71   12.83   14.85 113.89  95.59 101.43 pr:   1290.86, r:    1290.86
UM TTTSOLUTION  7: 102 19(sub) 25(all), aP(31, 0)    6.06    9.53   11.04  82.35  87.23  82.60 pr:    625.59, r:     625.59
Peak table: 85(sub) 85(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.16    11.44    12.16    69.51    87.21    85.87 prim:    930.44, red:     930.44
Make subset: 0.00001
Make T-vectors: 0.00662
Make unit cell: 0.19387
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 20 obs out of 85 (total:85,skipped:0) (23.53%)
   UB - matrix:
      -0.000145   -0.001920    0.001808   (  0.000009    0.000057    0.000060 )
      -0.000028    0.001332    0.001260   (  0.000012    0.000078    0.000083 )
      -0.003513    0.000206   -0.000029   (  0.000021    0.000134    0.000142 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000005   -0.000002   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.03(9) 12.6(6) 12.3(6)       
      67(5)    91(6)   96(6)   
      V = 1001(60) 
UB fit with 20 obs out of 85 (total:85,skipped:0) (23.53%)
   UB - matrix:
      -0.000130   -0.001830    0.001812   (  0.000013    0.000146    0.000014 )
      -0.000059    0.001163    0.001254   (  0.000012    0.000131    0.000013 )
      -0.003589   -0.000180   -0.000041   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000005   -0.000002   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.03(9) 12.6(6) 12.3(6)       
      67(5)    91(6)   96(6)   
      V = 1001(60) 
UB fit with 26 obs out of 85 (total:85,skipped:0) (30.59%)
   UB - matrix:
      -0.000130   -0.001830    0.001812   (  0.000013    0.000146    0.000014 )
      -0.000059    0.001163    0.001254   (  0.000012    0.000131    0.000013 )
      -0.003589   -0.000180   -0.000041   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000004   -0.000002   (  0.000001    0.000000    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.98(10) 13.4(6) 12.1(5)       
      69(4)     92(6)   98(6)   
      V = 1052(50) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 20 obs out of 85 (total:85,skipped:0) (23.53%)
   UB - matrix:
      -0.000145   -0.001920    0.001808   (  0.000013    0.000146    0.000014 )
      -0.000028    0.001332    0.001260   (  0.000012    0.000131    0.000013 )
      -0.003513    0.000206   -0.000029   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000005   -0.000002   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.03(9) 12.6(6) 12.3(6)       
      67(5)    91(6)   96(6)   
      V = 1001(60) 
   UB - matrix:
      -0.000130   -0.001830    0.001812   (  0.000013    0.000146    0.000014 )
      -0.000059    0.001163    0.001254   (  0.000012    0.000131    0.000013 )
      -0.003589   -0.000180   -0.000041   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000005   -0.000002   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
UB fit with 26 obs out of 85 (total:85,skipped:0) (30.59%)
    unit cell:
       7.03(9) 12.6(6) 12.3(6)       
      67(5)    91(6)   96(6)   
      V = 1001(60) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:07 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:07 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 272 peaks in the peak location table
272 peak locations are merged to 90 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 90 unindexed peaks to the CrysAlis peak table (90 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:07 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
156 peak differences on 45 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743787!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 156(sub) 156(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.02522
Make unit cell: 0.02998
Primitive unit cell refinement
UB fit with 16 obs out of 156 (total:156,skipped:0) (10.26%)
   UB - matrix:
      -0.000145   -0.001920    0.001808   (  0.000013    0.000146    0.000014 )
      -0.000028    0.001332    0.001260   (  0.000012    0.000131    0.000013 )
      -0.003513    0.000206   -0.000029   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000013    0.000001   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001    0.000005   -0.000002   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000002    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.16(7) 11.4(5) 12.2(6)       
      70(4)    87(5)   86(5)   
      V = 930(50) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 16 obs out of 156 (total:156,skipped:0) (10.26%)
    unit cell:
       7.16(7) 11.4(5) 12.2(6)       
      70(4)    87(5)   86(5)   
      V = 930(50) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743787!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 16(sub) 24(all), aP(31, 0)    6.81    7.22   17.55  88.24  85.46  62.96 pr:    766.40, r:     766.40
UM TTTSOLUTION  2:   2 14(sub) 20(all), aP(31, 0)    7.38    7.47   16.64  78.72  84.48  65.78 pr:    820.11, r:     820.11
UM TTTSOLUTION  3:   3 19(sub) 16(all), aP(44, 0)    7.27    9.84   14.23 103.93 103.06  99.65 pr:    935.60, r:     935.60
Peak table: 90(sub) 90(all)
Best cell:    16 indexed, Niggli aP(31, 0):     6.81     7.22    17.55    88.24    85.46    62.96 prim:    766.40, red:     766.40
UM TTTSOLUTION  1:   4 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:   5 18(sub) 29(all), aP(31, 0)    7.58   10.00   11.48  86.61  85.28  77.90 pr:    847.60, r:     847.60
UM TTTSOLUTION  3:   6 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  4:   7 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:   8 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  6:   9 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
UM TTTSOLUTION  7:  10 23(sub) 23(all), aP(44, 0)    7.75   14.47   28.41  92.65  91.01  93.67 pr:   3176.01, r:    3176.01
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  11 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  12 18(sub) 29(all), aP(31, 0)    7.58   10.00   11.48  86.61  85.28  77.90 pr:    847.60, r:     847.60
UM TTTSOLUTION  3:  13 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  4:  14 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  15 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  6:  16 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
UM TTTSOLUTION  7:  17 23(sub) 23(all), aP(44, 0)    7.75   14.47   28.41  92.65  91.01  93.67 pr:   3176.01, r:    3176.01
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  18 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  19 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  20 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  21 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  22 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  23 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  24 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  25 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  26 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  27 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  28 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  29 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  30 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  31 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  32 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  33 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  34 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  35 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  36 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  37 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  38 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  39 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  40 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  41 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  42 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  43 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  44 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  45 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  46 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  47 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  48 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  49 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  50 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  51 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  52 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  53 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  54 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  55 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  56 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  57 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  58 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  59 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  60 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  61 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  62 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  63 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  64 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  65 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  66 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
UM TTTSOLUTION  1:  67 22(sub) 29(all), aP(31, 0)    7.79    8.51   11.55  86.02  83.78  71.91 pr:    723.55, r:     723.55
UM TTTSOLUTION  2:  68 23(sub) 26(all), aP(44, 0)    7.97   10.21   12.08 111.47  95.02  96.66 pr:    898.63, r:     898.63
UM TTTSOLUTION  3:  69 24(sub) 25(all), mC(39, 2)   19.96    7.90   13.69  90.28 109.12  89.43 pr:   1020.44, r:    2040.87
UM TTTSOLUTION  4:  70 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  5:  71 20(sub) 25(all), mC(30, 2)   12.49   26.37    7.72  89.41  97.32  89.10 pr:   1260.79, r:    2521.58
UM TTTSOLUTION  6:  72 25(sub) 25(all), aP(44, 0)   14.43   15.67   28.74  92.95  92.69 113.38 pr:   5941.46, r:    5941.46
UM TTTSOLUTION  7:  73 18(sub) 23(all), mP(34, 1)    6.90   17.81   13.92  90.12  98.28  90.04 pr:   1691.72, r:    1691.72
Peak table: 90(sub) 90(all)
Best cell:    22 indexed, Niggli aP(31, 0):     7.79     8.51    11.55    86.02    83.78    71.91 prim:    723.55, red:     723.55
Make subset: 0.00000
Make T-vectors: 0.00331
Make unit cell: 0.11510
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 28 obs out of 90 (total:90,skipped:0) (31.11%)
   UB - matrix:
       0.003169   -0.000311   -0.000886   (  0.000013    0.000146    0.000014 )
      -0.000970    0.002975   -0.000705   (  0.000012    0.000131    0.000013 )
       0.000771    0.000836    0.001871   (  0.000024    0.000266    0.000026 )
   M - matrix:
       0.000010   -0.000001   -0.000000   (  0.000001    0.000001    0.000000 )
      -0.000001    0.000008   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000001    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.2(3)  9.3(7) 11.5(5)       
      83(5)   87(3)   82(5)   
      V = 850(80) 
UB fit with 28 obs out of 90 (total:90,skipped:0) (31.11%)
   UB - matrix:
       0.002865    0.000035   -0.000915   (  0.000122    0.000132    0.000007 )
      -0.000707    0.002685   -0.000679   (  0.000219    0.000237    0.000013 )
       0.000971    0.000631    0.001893   (  0.000188    0.000203    0.000011 )
   M - matrix:
       0.000010   -0.000001   -0.000000   (  0.000001    0.000001    0.000000 )
      -0.000001    0.000008   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000001    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.2(3)  9.3(7) 11.5(5)       
      83(5)   87(3)   82(5)   
      V = 850(80) 
UB fit with 29 obs out of 90 (total:90,skipped:0) (32.22%)
   UB - matrix:
       0.002865    0.000035   -0.000915   (  0.000122    0.000132    0.000007 )
      -0.000707    0.002685   -0.000679   (  0.000219    0.000237    0.000013 )
       0.000971    0.000631    0.001893   (  0.000188    0.000203    0.000011 )
   M - matrix:
       0.000010   -0.000001    0.000000   (  0.000001    0.000001    0.000000 )
      -0.000001    0.000007   -0.000001   (  0.000001    0.000001    0.000000 )
       0.000000   -0.000001    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.0(3)  9.6(7) 11.5(4)       
      79(4)   90(3)   81(4)   
      V = 852(70) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 28 obs out of 90 (total:90,skipped:0) (31.11%)
   UB - matrix:
       0.003169   -0.000311   -0.000886   (  0.000122    0.000132    0.000007 )
      -0.000970    0.002975   -0.000705   (  0.000219    0.000237    0.000013 )
       0.000771    0.000836    0.001871   (  0.000188    0.000203    0.000011 )
   M - matrix:
       0.000010   -0.000001   -0.000000   (  0.000001    0.000001    0.000000 )
      -0.000001    0.000008   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000001    0.000005   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.2(3)  9.3(7) 11.5(5)       
      83(5)   87(3)   82(5)   
      V = 850(80) 
   UB - matrix:
       0.002865    0.000035   -0.000915   (  0.000122    0.000132    0.000007 )
      -0.000707    0.002685   -0.000679   (  0.000219    0.000237    0.000013 )
       0.000971    0.000631    0.001893   (  0.000188    0.000203    0.000011 )
   M - matrix:
       0.000010   -0.000001   -0.000000   (  0.000001    0.000001    0.000000 )
      -0.000001    0.000008   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000000   -0.000001    0.000005   (  0.000000    0.000000    0.000000 )
UB fit with 29 obs out of 90 (total:90,skipped:0) (32.22%)
    unit cell:
       8.2(3)  9.3(7) 11.5(5)       
      83(5)   87(3)   82(5)   
      V = 850(80) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:08 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:08 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 286 peaks in the peak location table
286 peak locations are merged to 95 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 95 unindexed peaks to the CrysAlis peak table (95 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:08 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
170 peak differences on 46 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743788!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 170(sub) 170(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.03095
Make unit cell: 0.05329
Primitive unit cell refinement
UB fit with 14 obs out of 170 (total:170,skipped:0) (8.24%)
? illegal lattice constant (pCalcLatticeODX_CRY case ODX_CRY_CALCLATTICE_METRIC)
? illegal lattice constant (pCalcLatticeODX_CRY case ODX_CRY_CALCLATTICE_METRIC)
UB fit with 14 obs out of 170 (total:170,skipped:0) (8.24%)
    unit cell:
      3948(3) 7745(12) 7582(11)       
        86(4)   84(3)    72(5)  
      V = 0(60) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743788!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 24(sub) 25(all), aP(31, 0)   11.83   15.20   16.92  85.11  87.57  67.87 pr:   2806.69, r:    2806.69
Peak table: 95(sub) 95(all)
Best cell:    24 indexed, Niggli aP(31, 0):    11.83    15.20    16.92    85.11    87.57    67.87 prim:   2806.69, red:    2806.69
UM TTTSOLUTION  1:   2 20(sub) 30(all), aP(44, 0)    8.17   10.68   13.76 111.40  92.78 108.63 pr:   1039.70, r:    1039.70
UM TTTSOLUTION  2:   3 20(sub) 26(all), aP(44, 0)    7.39    8.58   10.50  97.01 103.20 111.94 pr:    585.89, r:     585.89
UM TTTSOLUTION  3:   4 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  4:   5 24(sub) 25(all), aP(31, 0)   11.83   15.20   16.92  85.11  87.57  67.87 pr:   2806.69, r:    2806.69
UM TTTSOLUTION  5:   6 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    20 indexed, Niggli aP(44, 0):     8.17    10.68    13.76   111.40    92.78   108.63 prim:   1039.70, red:    1039.70
UM TTTSOLUTION  1:   7 20(sub) 26(all), aP(44, 0)    7.39    8.58   10.50  97.01 103.20 111.94 pr:    585.89, r:     585.89
UM TTTSOLUTION  2:   8 22(sub) 27(all), mC(39, 2)   19.76    8.01   13.53  90.99 107.39  89.89 pr:   1021.86, r:    2043.72
UM TTTSOLUTION  3:   9 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  4:  10 24(sub) 25(all), aP(31, 0)   11.83   15.20   16.92  85.11  87.57  67.87 pr:   2806.69, r:    2806.69
UM TTTSOLUTION  5:  11 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    20 indexed, Niggli aP(44, 0):     7.39     8.58    10.50    97.01   103.20   111.94 prim:    585.89, red:     585.89
UM TTTSOLUTION  1:  12 22(sub) 27(all), mC(39, 2)   19.76    8.01   13.53  90.99 107.39  89.89 pr:   1021.86, r:    2043.72
UM TTTSOLUTION  2:  13 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  3:  14 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  4:  15 24(sub) 25(all), aP(31, 0)   11.83   15.20   16.92  85.11  87.57  67.87 pr:   2806.69, r:    2806.69
UM TTTSOLUTION  5:  16 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    22 indexed, Niggli mC(39, 2):    19.76     8.01    13.53    90.99   107.39    89.89 prim:   1021.86, red:    2043.72
UM TTTSOLUTION  1:  17 22(sub) 27(all), mC(39, 2)   19.76    8.01   13.53  90.99 107.39  89.89 pr:   1021.86, r:    2043.72
UM TTTSOLUTION  2:  18 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  3:  19 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  4:  20 24(sub) 25(all), aP(31, 0)   11.83   15.20   16.92  85.11  87.57  67.87 pr:   2806.69, r:    2806.69
UM TTTSOLUTION  5:  21 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    22 indexed, Niggli mC(39, 2):    19.76     8.01    13.53    90.99   107.39    89.89 prim:   1021.86, red:    2043.72
UM TTTSOLUTION  1:  22 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  23 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  24 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  25 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  5:  26 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  6:  27 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  28 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  29 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  30 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  31 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  5:  32 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  6:  33 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  34 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  35 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  36 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  37 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  38 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  39 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  40 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  41 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  42 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  43 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  44 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  45 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  46 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  47 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  48 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  49 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  50 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  51 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  52 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  53 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  54 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  55 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  56 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  57 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  58 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  59 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  60 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  61 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  62 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  63 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  64 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  65 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  66 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  67 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  68 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  69 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  70 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  71 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  72 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  73 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  74 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  75 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  76 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  77 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  78 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  79 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  80 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  81 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  82 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
UM TTTSOLUTION  1:  83 34(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  2:  84 35(sub) 32(all), aP(31, 0)    8.04   10.57   31.24  83.84  83.24  69.34 pr:   2460.50, r:    2460.50
UM TTTSOLUTION  3:  85 35(sub) 31(all), aP(44, 0)   10.66   15.86   31.39  92.46  96.22 108.27 pr:   4994.36, r:    4994.36
UM TTTSOLUTION  4:  86 31(sub) 29(all), aP(31, 0)   11.18   15.30   39.24  83.69  82.67  72.31 pr:   6322.83, r:    6322.83
UM TTTSOLUTION  5:  87 31(sub) 27(all), aP(31, 0)   13.47   16.48   19.59  88.97  86.02  73.53 pr:   4157.98, r:    4157.98
UM TTTSOLUTION  6:  88 25(sub) 26(all), aP(44, 0)   13.90   15.14   18.27  98.83  98.43 105.00 pr:   3598.74, r:    3598.74
UM TTTSOLUTION  7:  89 25(sub) 24(all), aP(31, 0)    7.42    9.81   10.22  70.85  81.83  70.51 pr:    662.28, r:     662.28
Peak table: 95(sub) 95(all)
Best cell:    34 indexed, Niggli aP(31, 0):     8.04    10.57    31.24    83.84    83.24    69.34 prim:   2460.50, red:    2460.50
Make subset: 0.00001
Make T-vectors: 0.00490
Make unit cell: 0.19607
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 32 obs out of 95 (total:95,skipped:0) (33.68%)
   UB - matrix:
      -0.003269    0.001028   -0.000102   (  0.000122    0.000132    0.000007 )
       0.000675   -0.000266   -0.000797   (  0.000219    0.000237    0.000013 )
      -0.000261   -0.002313    0.000109   (  0.000188    0.000203    0.000011 )
   M - matrix:
       0.000011   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.13(18) 10.5(3) 31.6(4)       
      86(3)     85(2)   68(3)   
      V = 2482(90) 
UB fit with 32 obs out of 95 (total:95,skipped:0) (33.68%)
   UB - matrix:
      -0.003279    0.001035   -0.000099   (  0.000050    0.000018    0.000013 )
       0.000639   -0.000255   -0.000788   (  0.000039    0.000014    0.000010 )
      -0.000130   -0.002361    0.000075   (  0.000158    0.000057    0.000041 )
   M - matrix:
       0.000011   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.13(18) 10.5(3) 31.6(4)       
      86(3)     85(2)   68(3)   
      V = 2482(90) 
UB fit with 32 obs out of 95 (total:95,skipped:0) (33.68%)
   UB - matrix:
      -0.003279    0.001035   -0.000099   (  0.000050    0.000018    0.000013 )
       0.000639   -0.000255   -0.000788   (  0.000039    0.000014    0.000010 )
      -0.000130   -0.002361    0.000075   (  0.000158    0.000057    0.000041 )
   M - matrix:
       0.000011   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.13(18) 10.5(3) 31.6(4)       
      86(3)     85(2)   68(3)   
      V = 2482(90) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 32 obs out of 95 (total:95,skipped:0) (33.68%)
   UB - matrix:
      -0.003279    0.001035   -0.000099   (  0.000050    0.000018    0.000013 )
       0.000639   -0.000255   -0.000788   (  0.000039    0.000014    0.000010 )
      -0.000130   -0.002361    0.000075   (  0.000158    0.000057    0.000041 )
   M - matrix:
       0.000011   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.13(18) 10.5(3) 31.6(4)       
      86(3)     85(2)   68(3)   
      V = 2482(90) 
   UB - matrix:
      -0.003279    0.001035   -0.000099   (  0.000050    0.000018    0.000013 )
       0.000639   -0.000255   -0.000788   (  0.000039    0.000014    0.000010 )
      -0.000130   -0.002361    0.000075   (  0.000158    0.000057    0.000041 )
   M - matrix:
       0.000011   -0.000003   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000003    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 32 obs out of 95 (total:95,skipped:0) (33.68%)
    unit cell:
       8.13(18) 10.5(3) 31.6(4)       
      86(3)     85(2)   68(3)   
      V = 2482(90) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 314 peaks in the peak location table
314 peak locations are merged to 101 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 101 unindexed peaks to the CrysAlis peak table (101 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
182 peak differences on 49 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743789!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 182(sub) 182(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.03356
Make unit cell: 0.03288
Primitive unit cell refinement
UB fit with 6 obs out of 182 (total:182,skipped:0) (3.30%)
   UB - matrix:
      -0.003279    0.001035   -0.000099   (  0.000050    0.000018    0.000013 )
       0.000639   -0.000255   -0.000788   (  0.000039    0.000014    0.000010 )
      -0.000130   -0.002361    0.000075   (  0.000158    0.000057    0.000041 )
   M - matrix:
       0.000013   -0.000004   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000004    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.7496   10.5421   31.8453         
      84.6121   80.9600   66.3117   
      V = 2351.5255   
   UB - matrix:
      -0.003505    0.001113   -0.000044   (  0.000000    0.000000    0.000000 )
       0.000643   -0.000263   -0.000791   (  0.000000    0.000000    0.000000 )
      -0.000178   -0.002337    0.000098   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000013   -0.000004   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000004    0.000007   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 6 obs out of 182 (total:182,skipped:0) (3.30%)
    unit cell:
       7.7496   10.5421   31.8453         
      84.6121   80.9600   66.3117   
      V = 2351.5255   
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743789!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 13(sub) 14(all), aP(44, 0)   10.92   14.06   34.93  90.26  96.55 102.51 pr:   5201.94, r:    5201.94
Peak table: 101(sub) 101(all)
Best cell:    13 indexed, Niggli aP(44, 0):    10.92    14.06    34.93    90.26    96.55   102.51 prim:   5201.94, red:    5201.94
UM TTTSOLUTION  1:   2 17(sub) 20(all), aP(44, 0)    8.05    8.34    8.85 110.71 101.43 110.48 pr:    484.41, r:     484.41
UM TTTSOLUTION  2:   3 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  3:   4 13(sub) 17(all), aP(31, 0)    8.38   11.27   13.73  78.51  74.00  79.12 pr:   1210.05, r:    1210.05
Peak table: 101(sub) 101(all)
Best cell:    17 indexed, Niggli aP(44, 0):     8.05     8.34     8.85   110.71   101.43   110.48 prim:    484.41, red:     484.41
UM TTTSOLUTION  1:   5 17(sub) 20(all), aP(44, 0)    8.05    8.34    8.85 110.71 101.43 110.48 pr:    484.41, r:     484.41
UM TTTSOLUTION  2:   6 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  3:   7 13(sub) 17(all), aP(31, 0)    8.38   11.27   13.73  78.51  74.00  79.12 pr:   1210.05, r:    1210.05
Peak table: 101(sub) 101(all)
Best cell:    17 indexed, Niggli aP(44, 0):     8.05     8.34     8.85   110.71   101.43   110.48 prim:    484.41, red:     484.41
UM TTTSOLUTION  1:   8 17(sub) 20(all), aP(44, 0)    8.05    8.34    8.85 110.71 101.43 110.48 pr:    484.41, r:     484.41
UM TTTSOLUTION  2:   9 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  3:  10 13(sub) 17(all), aP(31, 0)    8.38   11.27   13.73  78.51  74.00  79.12 pr:   1210.05, r:    1210.05
Peak table: 101(sub) 101(all)
Best cell:    17 indexed, Niggli aP(44, 0):     8.05     8.34     8.85   110.71   101.43   110.48 prim:    484.41, red:     484.41
UM TTTSOLUTION  1:  11 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  12 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  13 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  4:  14 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  5:  15 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  6:  16 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  7:  17 22(sub) 18(all), aP(31, 0)    9.25   13.51   15.74  64.90  74.22  85.27 pr:   1714.06, r:    1714.06
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  18 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  19 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  20 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  4:  21 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  5:  22 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  6:  23 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  7:  24 22(sub) 18(all), aP(31, 0)    9.25   13.51   15.74  64.90  74.22  85.27 pr:   1714.06, r:    1714.06
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  25 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  26 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  27 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  4:  28 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  5:  29 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  6:  30 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
UM TTTSOLUTION  7:  31 22(sub) 18(all), aP(31, 0)    9.25   13.51   15.74  64.90  74.22  85.27 pr:   1714.06, r:    1714.06
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  32 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  33 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  34 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  35 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  36 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  37 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  38 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  39 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  40 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  41 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  42 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  43 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  44 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  45 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  46 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  47 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  48 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  49 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  50 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  51 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  52 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  53 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  54 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  55 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  56 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  57 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  58 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  59 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  60 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  61 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  62 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  63 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  64 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  65 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  66 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  67 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  68 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  69 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  70 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  71 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  72 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  73 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
UM TTTSOLUTION  1:  74 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  2:  75 25(sub) 24(all), aP(31, 0)    5.19    7.93   33.58  88.97  88.12  75.91 pr:   1338.89, r:    1338.89
UM TTTSOLUTION  3:  76 18(sub) 22(all), aP(44, 0)    7.30   11.56   18.32  94.42 100.54  92.16 pr:   1512.68, r:    1512.68
UM TTTSOLUTION  4:  77 24(sub) 20(all), aP(31, 0)    5.21    8.33   26.17  82.00  87.93  72.48 pr:   1072.12, r:    1072.12
UM TTTSOLUTION  5:  78 25(sub) 20(all), aP(31, 0)    8.28   11.73   31.78  82.49  89.40  72.07 pr:   2910.13, r:    2910.13
UM TTTSOLUTION  6:  79 20(sub) 19(all), mI(27, 2)   15.52    7.88   14.17  90.67 100.19  90.15 pr:    852.87, r:    1705.74
UM TTTSOLUTION  7:  80 19(sub) 19(all), mP(34, 1)    8.26   43.35   13.39  90.70  93.14  89.19 pr:   4787.93, r:    4787.93
Peak table: 101(sub) 101(all)
Best cell:    25 indexed, Niggli aP(31, 0):     5.19     7.93    33.58    88.97    88.12    75.91 prim:   1338.89, red:    1338.89
Make subset: 0.00001
Make T-vectors: 0.00523
Make unit cell: 0.15299
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 19 obs out of 101 (total:101,skipped:0) (18.81%)
   UB - matrix:
       0.001496   -0.003111   -0.000213   (  0.000000    0.000000    0.000000 )
       0.003764   -0.000480    0.000473   (  0.000000    0.000000    0.000000 )
      -0.002920   -0.000857    0.000538   (  0.000000    0.000000    0.000000 )
   M - matrix:
       0.000024   -0.000004   -0.000000   (  0.000002    0.000001    0.000000 )
      -0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
      -0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.3(3)  8.0(2) 32(2)       
      90(3)   88(4)   75(3) 
      V = 1323(90) 
UB fit with 19 obs out of 101 (total:101,skipped:0) (18.81%)
   UB - matrix:
       0.001456   -0.003128   -0.000227   (  0.000132    0.000070    0.000029 )
       0.003784   -0.000463    0.000471   (  0.000200    0.000106    0.000044 )
      -0.002751   -0.000784    0.000573   (  0.000195    0.000104    0.000043 )
   M - matrix:
       0.000024   -0.000004   -0.000000   (  0.000002    0.000001    0.000000 )
      -0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
      -0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.3(3)  8.0(2) 32(2)       
      90(3)   88(4)   75(3) 
      V = 1323(90) 
UB fit with 24 obs out of 101 (total:101,skipped:0) (23.76%)
   UB - matrix:
       0.001419   -0.003144   -0.000231   (  0.000101    0.000058    0.000023 )
       0.003781   -0.000459    0.000472   (  0.000173    0.000098    0.000039 )
      -0.002709   -0.000768    0.000578   (  0.000168    0.000095    0.000038 )
   M - matrix:
       0.000024   -0.000004   -0.000000   (  0.000002    0.000001    0.000000 )
      -0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
      -0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.3(2)  7.95(18) 32(1)       
      91(3)   89(3)     75(3) 
      V = 1319(80) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 19 obs out of 101 (total:101,skipped:0) (18.81%)
   UB - matrix:
       0.001456   -0.003128   -0.000227   (  0.000132    0.000070    0.000029 )
       0.003784   -0.000463    0.000471   (  0.000200    0.000106    0.000044 )
      -0.002751   -0.000784    0.000573   (  0.000195    0.000104    0.000043 )
   M - matrix:
       0.000024   -0.000004   -0.000000   (  0.000002    0.000001    0.000000 )
      -0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
      -0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.3(3)  8.0(2) 32(2)       
      90(3)   88(4)   75(3) 
      V = 1323(90) 
   UB - matrix:
       0.001419    0.003144    0.000231   (  0.000101    0.000058    0.000023 )
       0.003781    0.000459   -0.000472   (  0.000173    0.000098    0.000039 )
      -0.002709    0.000768   -0.000578   (  0.000168    0.000095    0.000038 )
   M - matrix:
       0.000024    0.000004    0.000000   (  0.000002    0.000001    0.000000 )
       0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 25 obs out of 101 (total:101,skipped:0) (24.75%)
    unit cell:
       5.3(2)  7.95(18)  32(1)       
      91(3)   91(3)     105(3) 
      V = 1319(80) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 327 peaks in the peak location table
327 peak locations are merged to 103 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 103 unindexed peaks to the CrysAlis peak table (103 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:09 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
184 peak differences on 50 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743789!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 184(sub) 184(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.03778
Make unit cell: 0.03204
Primitive unit cell refinement
UB fit with 6 obs out of 184 (total:184,skipped:0) (3.26%)
   UB - matrix:
       0.001456   -0.003128   -0.000227   (  0.000101    0.000058    0.000023 )
       0.003784   -0.000463    0.000471   (  0.000173    0.000098    0.000039 )
      -0.002751   -0.000784    0.000573   (  0.000168    0.000095    0.000038 )
   M - matrix:
       0.000024    0.000004    0.000000   (  0.000002    0.000001    0.000000 )
       0.000004    0.000011    0.000000   (  0.000001    0.000000    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.3(2)  7.98(18) 32(1)       
      90(3)   88(3)     75(3) 
      V = 1323(80) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 6 obs out of 184 (total:184,skipped:0) (3.26%)
    unit cell:
       5.3(2)  7.98(18)  32(1)       
      90(3)   92(3)     105(3) 
      V = 1323(80) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743789!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
UM TTTSOLUTION  1:   1 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  2:   2 14(sub) 24(all), aP(44, 0)   11.81   13.67   14.34  94.71 109.16  99.31 pr:   2135.50, r:    2135.50
UM TTTSOLUTION  3:   3 15(sub) 22(all), aP(44, 0)    7.96    8.49    9.30 112.43 107.56 101.01 pr:    519.36, r:     519.36
UM TTTSOLUTION  4:   4 14(sub) 21(all), aP(31, 0)    8.32    8.79   40.25  84.56  86.21  65.07 pr:   2656.43, r:    2656.43
UM TTTSOLUTION  5:   5 13(sub) 17(all), aP(31, 0)    8.37   11.27   13.77  78.36  74.84  78.90 pr:   1213.73, r:    1213.73
Peak table: 103(sub) 103(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.94     8.06     8.36   103.51   107.10   114.40 prim:    425.24, red:     425.24
UM TTTSOLUTION  1:   6 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  2:   7 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  3:   8 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
Peak table: 103(sub) 103(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.94     8.06     8.36   103.51   107.10   114.40 prim:    425.24, red:     425.24
UM TTTSOLUTION  1:   9 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  2:  10 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  3:  11 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
Peak table: 103(sub) 103(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.94     8.06     8.36   103.51   107.10   114.40 prim:    425.24, red:     425.24
UM TTTSOLUTION  1:  12 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  2:  13 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  3:  14 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
UM TTTSOLUTION  4:  15 18(sub) 16(all), aP(44, 0)    8.90   10.51   13.37  99.09 101.84 111.70 pr:   1099.23, r:    1099.23
Peak table: 103(sub) 103(all)
Best cell:    17 indexed, Niggli aP(44, 0):     7.94     8.06     8.36   103.51   107.10   114.40 prim:    425.24, red:     425.24
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  16 22(sub) 32(all), aP(44, 0)   10.55   14.83   15.36 117.30  91.50 106.08 pr:   2019.03, r:    2019.03
UM TTTSOLUTION  2:  17 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  3:  18 21(sub) 20(all), aP(44, 0)    9.68   10.12   14.76 105.47  99.86 103.77 pr:   1309.95, r:    1309.95
UM TTTSOLUTION  4:  19 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  5:  20 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
UM TTTSOLUTION  6:  21 18(sub) 16(all), aP(44, 0)    8.90   10.51   13.37  99.09 101.84 111.70 pr:   1099.23, r:    1099.23
UM TTTSOLUTION  7:  22 17(sub) 14(all), mC(30, 2)   11.12   64.96    8.33  89.68 109.85  89.49 pr:   2828.48, r:    5656.97
Peak table: 103(sub) 103(all)
Best cell:    22 indexed, Niggli aP(44, 0):    10.55    14.83    15.36   117.30    91.50   106.08 prim:   2019.03, red:    2019.03
UM TTTSOLUTION  1:  23 22(sub) 32(all), aP(44, 0)   10.55   14.83   15.36 117.30  91.50 106.08 pr:   2019.03, r:    2019.03
UM TTTSOLUTION  2:  24 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  3:  25 21(sub) 20(all), aP(44, 0)    9.68   10.12   14.76 105.47  99.86 103.77 pr:   1309.95, r:    1309.95
UM TTTSOLUTION  4:  26 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  5:  27 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
UM TTTSOLUTION  6:  28 18(sub) 16(all), aP(44, 0)    8.90   10.51   13.37  99.09 101.84 111.70 pr:   1099.23, r:    1099.23
UM TTTSOLUTION  7:  29 17(sub) 14(all), mC(30, 2)   11.12   64.96    8.33  89.68 109.85  89.49 pr:   2828.48, r:    5656.97
Peak table: 103(sub) 103(all)
Best cell:    22 indexed, Niggli aP(44, 0):    10.55    14.83    15.36   117.30    91.50   106.08 prim:   2019.03, red:    2019.03
UM TTTSOLUTION  1:  30 22(sub) 32(all), aP(44, 0)   10.55   14.83   15.36 117.30  91.50 106.08 pr:   2019.03, r:    2019.03
UM TTTSOLUTION  2:  31 17(sub) 26(all), aP(44, 0)    7.94    8.06    8.36 103.51 107.10 114.40 pr:    425.24, r:     425.24
UM TTTSOLUTION  3:  32 21(sub) 20(all), aP(44, 0)    9.68   10.12   14.76 105.47  99.86 103.77 pr:   1309.95, r:    1309.95
UM TTTSOLUTION  4:  33 24(sub) 20(all), aP(31, 0)    8.32    8.48   37.19  87.48  87.60  62.37 pr:   2321.97, r:    2321.97
UM TTTSOLUTION  5:  34 17(sub) 20(all), aP(31, 0)    7.97    8.25   41.62  86.78  86.84  62.16 pr:   2415.90, r:    2415.90
UM TTTSOLUTION  6:  35 18(sub) 16(all), aP(44, 0)    8.90   10.51   13.37  99.09 101.84 111.70 pr:   1099.23, r:    1099.23
UM TTTSOLUTION  7:  36 17(sub) 14(all), mC(30, 2)   11.12   64.96    8.33  89.68 109.85  89.49 pr:   2828.48, r:    5656.97
Peak table: 103(sub) 103(all)
Best cell:    22 indexed, Niggli aP(44, 0):    10.55    14.83    15.36   117.30    91.50   106.08 prim:   2019.03, red:    2019.03
UM TTTSOLUTION  1:  37 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    34 indexed, Niggli aP(44, 0):    11.17    15.30    39.01    91.70    97.76   108.00 prim:   6264.20, red:    6264.20
UM TTTSOLUTION  1:  38 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    34 indexed, Niggli aP(44, 0):    11.17    15.30    39.01    91.70    97.76   108.00 prim:   6264.20, red:    6264.20
UM TTTSOLUTION  1:  39 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    34 indexed, Niggli aP(44, 0):    11.17    15.30    39.01    91.70    97.76   108.00 prim:   6264.20, red:    6264.20
UM TTTSOLUTION  1:  40 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  2:  41 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    28 indexed, Niggli aP(31, 0):    11.05    14.16    15.01    68.05    70.33    77.69 prim:   2040.97, red:    2040.97
UM TTTSOLUTION  1:  42 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  43 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  44 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTTSOLUTION  1:  45 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  46 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  47 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTTSOLUTION  1:  48 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  49 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  50 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTTSOLUTION  1:  51 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  52 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  53 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  54 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  55 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  56 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTTSOLUTION  1:  57 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  58 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  59 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  60 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  61 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  62 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
UM TTTSOLUTION  1:  63 36(sub) 34(all), aP(44, 0)    7.81   10.74   39.31  92.27  95.32 109.88 pr:   3078.74, r:    3078.74
UM TTTSOLUTION  2:  64 28(sub) 32(all), aP(31, 0)   11.05   14.16   15.01  68.05  70.33  77.69 pr:   2040.97, r:    2040.97
UM TTTSOLUTION  3:  65 34(sub) 28(all), aP(44, 0)   11.17   15.30   39.01  91.70  97.76 108.00 pr:   6264.20, r:    6264.20
Peak table: 103(sub) 103(all)
Best cell:    36 indexed, Niggli aP(44, 0):     7.81    10.74    39.31    92.27    95.32   109.88 prim:   3078.74, red:    3078.74
Make subset: 0.00001
Make T-vectors: 0.00659
Make unit cell: 0.16241
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 24 obs out of 103 (total:103,skipped:0) (23.30%)
   UB - matrix:
      -0.002397    0.000970    0.000127   (  0.000101    0.000058    0.000023 )
       0.000271    0.001053   -0.000561   (  0.000173    0.000098    0.000039 )
      -0.002451   -0.002041   -0.000288   (  0.000168    0.000095    0.000038 )
   M - matrix:
       0.000012    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000006    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.95(9) 10.67(12)  38.6(4)       
      90.3(9)  97(1)     112(1)   
      V = 3015(50) 
UB fit with 24 obs out of 103 (total:103,skipped:0) (23.30%)
   UB - matrix:
      -0.002310    0.000998    0.000106   (  0.000038    0.000011    0.000013 )
       0.000369    0.001089   -0.000576   (  0.000019    0.000005    0.000006 )
      -0.002505   -0.002062   -0.000295   (  0.000031    0.000008    0.000010 )
   M - matrix:
       0.000012    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000006    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.95(9) 10.67(12)  38.6(4)       
      90.3(9)  97(1)     112(1)   
      V = 3015(50) 
UB fit with 34 obs out of 103 (total:103,skipped:0) (33.01%)
   UB - matrix:
      -0.002259    0.001019    0.000099   (  0.000043    0.000011    0.000015 )
       0.000391    0.001098   -0.000578   (  0.000023    0.000006    0.000008 )
      -0.002520   -0.002069   -0.000295   (  0.000035    0.000009    0.000012 )
   M - matrix:
       0.000012    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000007    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       8.04(10) 10.64(13)  38.6(5)       
      90(1)     97(1)     112(1)   
      V = 3026(60) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 24 obs out of 103 (total:103,skipped:0) (23.30%)
   UB - matrix:
      -0.002310    0.000998    0.000106   (  0.000038    0.000011    0.000013 )
       0.000369    0.001089   -0.000576   (  0.000019    0.000005    0.000006 )
      -0.002505   -0.002062   -0.000295   (  0.000031    0.000008    0.000010 )
   M - matrix:
       0.000012    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000006    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.95(9) 10.67(12)  38.6(4)       
      90.3(9)  97(1)     112(1)   
      V = 3015(50) 
   No constraint
   UB - matrix:
       0.000456   -0.002833   -0.000094   (  0.000015    0.000053    0.000017 )
       0.000836    0.000124    0.000578   (  0.000005    0.000020    0.000006 )
      -0.000884   -0.001326    0.000296   (  0.000008    0.000028    0.000009 )
   M - matrix:
       0.000002   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000010   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000456   -0.002833   -0.000094   (  0.000015    0.000053    0.000017 )
       0.000836    0.000124    0.000578   (  0.000005    0.000020    0.000006 )
      -0.000884   -0.001326    0.000296   (  0.000008    0.000028    0.000009 )
   M - matrix:
       0.000002    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000012    0.000001   (  0.000001    0.000003    0.000001 )
       0.000000    0.000001    0.000001   (  0.000000    0.000001    0.000000 )
UB fit with 30 obs out of 103 (total:103,skipped:0) (29.13%)
    unit cell:
      19.8(2)   8.02(13) 39.1(4)       
      88(1)   102.1(9)   90(1)   
      V = 6058(130) 
    unit cell:
      21(2)    8(1)  38(12)       
      100(20) 106(20) 93(15) 
      V = 6058(2000) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

Bravais lattice type: C

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 339 peaks in the peak location table
339 peak locations are merged to 108 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 108 unindexed peaks to the CrysAlis peak table (108 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
192 peak differences on 52 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743790!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 192(sub) 192(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.04975
Make unit cell: 0.03887
Primitive unit cell refinement
UB fit with 8 obs out of 192 (total:192,skipped:0) (4.17%)
   UB - matrix:
      -0.002310    0.000998    0.000106   (  0.000015    0.000053    0.000017 )
       0.000369    0.001089   -0.000576   (  0.000005    0.000020    0.000006 )
      -0.002505   -0.002062   -0.000295   (  0.000008    0.000028    0.000009 )
   M - matrix:
       0.000011    0.000003    0.000000   (  0.000000    0.000000    0.000000 )
       0.000003    0.000006    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.80(13) 10.70(18)  37.7(7)       
      101(2)     94(2)     106(2)   
      V = 2938(80) 
   No constraint
   UB - matrix:
       0.000420   -0.002933   -0.000125   (  0.000004    0.000014    0.000005 )
       0.000838    0.000092    0.000568   (  0.000008    0.000032    0.000011 )
      -0.000899   -0.001337    0.000292   (  0.000001    0.000003    0.000001 )
   M - matrix:
       0.000002    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000010    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000420   -0.002933   -0.000125   (  0.000004    0.000014    0.000005 )
       0.000838    0.000092    0.000568   (  0.000008    0.000032    0.000011 )
      -0.000899   -0.001337    0.000292   (  0.000001    0.000003    0.000001 )
   M - matrix:
       0.000002    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000010    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 12 obs out of 192 (total:192,skipped:0) (6.25%)
    unit cell:
      19.69(12)   7.79(3) 39.3(4)       
      90.7(5)   101.0(7)  90.5(4) 
      V = 5918(80) 
    unit cell:
      19.66(4)   7.81(3) 39.2(5)       
      90.0     100.5(7)  90.0    
      V = 5918(80) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743790!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 108(sub) 108(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02560
Make unit cell: 0.06895
   UB - matrix:
       0.000444   -0.002879   -0.000118   (  0.000017    0.000066    0.000020 )
       0.000843    0.000143    0.000580   (  0.000006    0.000022    0.000007 )
      -0.000890   -0.001338    0.000294   (  0.000008    0.000030    0.000009 )
   M - matrix:
       0.000002    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000010    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 32 obs out of 108 (total:108,skipped:0) (29.63%)
    unit cell:
      19.7(2)   7.90(16) 38.8(4)       
      91(1)   102(1)     90(1)   
      V = 5897(140) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
   No constraint
   UB - matrix:
       0.000449   -0.002858   -0.000104   (  0.000015    0.000053    0.000017 )
       0.000834    0.000116    0.000575   (  0.000005    0.000020    0.000006 )
      -0.000883   -0.001323    0.000298   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000002   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000010   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000449   -0.002858   -0.000104   (  0.000015    0.000053    0.000017 )
       0.000834    0.000116    0.000575   (  0.000005    0.000020    0.000006 )
      -0.000883   -0.001323    0.000298   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000002    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000010    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 29 obs out of 108 (total:108,skipped:0) (26.85%)
    unit cell:
      19.8(2)   7.97(13) 39.1(4)       
      89(1)   101.5(9)   90(1)   
      V = 6034(120) 
    unit cell:
      19.84(9)   7.90(6) 39.2(7)       
      90.0     101(1)    90.0    
      V = 6034(120) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 349 peaks in the peak location table
349 peak locations are merged to 111 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 111 unindexed peaks to the CrysAlis peak table (111 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:10 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
198 peak differences on 54 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743790!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 198(sub) 198(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.04108
Make unit cell: 0.03382
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743790!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 111(sub) 111(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02438
Make unit cell: 0.02528
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 7 obs out of 111 (total:111,skipped:0) (6.31%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 367 peaks in the peak location table
367 peak locations are merged to 117 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 117 unindexed peaks to the CrysAlis peak table (117 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
234 peak differences on 55 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743791!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.06127
Make unit cell: 0.05149
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743791!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 117(sub) 117(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02548
Make unit cell: 0.02745
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 9 obs out of 117 (total:117,skipped:0) (7.69%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 388 peaks in the peak location table
388 peak locations are merged to 121 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 121 unindexed peaks to the CrysAlis peak table (121 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:11 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
241 peak differences on 57 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 241(sub) 241(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.06867
Make unit cell: 0.04901
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 121(sub) 121(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02838
Make unit cell: 0.03036
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 9 obs out of 121 (total:121,skipped:0) (7.44%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 403 peaks in the peak location table
403 peak locations are merged to 123 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 123 unindexed peaks to the CrysAlis peak table (123 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
238 peak differences on 58 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.05587
Make unit cell: 0.05738
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 123(sub) 123(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.03505
Make unit cell: 0.03648
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 10 obs out of 123 (total:123,skipped:0) (8.13%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 414 peaks in the peak location table
414 peak locations are merged to 124 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 124 unindexed peaks to the CrysAlis peak table (124 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:12 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
230 peak differences on 59 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.05225
Make unit cell: 0.03800
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743792!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 124(sub) 124(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02716
Make unit cell: 0.02687
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 10 obs out of 124 (total:124,skipped:0) (8.06%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 423 peaks in the peak location table
423 peak locations are merged to 125 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 125 unindexed peaks to the CrysAlis peak table (125 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
230 peak differences on 60 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743793!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.05336
Make unit cell: 0.05274
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743793!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 125(sub) 125(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02880
Make unit cell: 0.02686
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 10 obs out of 125 (total:125,skipped:0) (8.00%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 435 peaks in the peak location table
435 peak locations are merged to 130 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 130 unindexed peaks to the CrysAlis peak table (130 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:13 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
250 peak differences on 61 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743793!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 250(sub) 250(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.07474
Make unit cell: 0.05742
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743794!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02936
Make unit cell: 0.04010
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 12 obs out of 130 (total:130,skipped:0) (9.23%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:14 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:14 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 446 peaks in the peak location table
446 peak locations are merged to 130 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 130 unindexed peaks to the CrysAlis peak table (130 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:14 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
234 peak differences on 63 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743794!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 234(sub) 234(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.05445
Make unit cell: 0.04455
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743794!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 130(sub) 130(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.02886
Make unit cell: 0.02869
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000015    0.000053    0.000017 )
       0.000000    0.025000    0.000000   (  0.000005    0.000020    0.000006 )
       0.000000    0.000000    0.025000   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000000    0.000001    0.000000 )
UB fit with 12 obs out of 130 (total:130,skipped:0) (9.23%)
    unit cell:
       1.0040(6)  1.0040(8)  1.0040(3)       
      90.00(6)   90.00(4)   90.00(12)  
      V = 1.0120(11) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:14 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:15 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 459 peaks in the peak location table
459 peak locations are merged to 133 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 133 unindexed peaks to the CrysAlis peak table (133 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:15 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
238 peak differences on 65 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743795!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.05755
Make unit cell: 0.04067
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743795!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 133(sub) 133(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 133(sub) 133(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 133(sub) 133(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTTSOLUTION  1:   2 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTTSOLUTION  1:   3 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTTSOLUTION  1:   4 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   5 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTTSOLUTION  1:   6 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   7 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTTSOLUTION  1:   8 35(sub) 33(all), aP(44, 0)    5.48    7.38    9.38  94.85 102.99 111.45 pr:    338.05, r:     338.05
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli aP(44, 0):     5.48     7.38     9.38    94.85   102.99   111.45 prim:    338.05, red:     338.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   9 35(sub) 32(all), mI(27, 2)   12.57    5.33   10.38  90.73 106.99  90.44 pr:    332.46, r:     664.92
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli mI(27, 2):    12.57     5.33    10.38    90.73   106.99    90.44 prim:    332.46, red:     664.92
UM TTTSOLUTION  1:  10 35(sub) 32(all), mI(27, 2)   12.57    5.33   10.38  90.73 106.99  90.44 pr:    332.46, r:     664.92
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli mI(27, 2):    12.57     5.33    10.38    90.73   106.99    90.44 prim:    332.46, red:     664.92
UM TTTSOLUTION  1:  11 35(sub) 32(all), mI(27, 2)   12.57    5.33   10.38  90.73 106.99  90.44 pr:    332.46, r:     664.92
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli mI(27, 2):    12.57     5.33    10.38    90.73   106.99    90.44 prim:    332.46, red:     664.92
UM TTTSOLUTION  1:  12 35(sub) 32(all), mI(27, 2)   12.57    5.33   10.38  90.73 106.99  90.44 pr:    332.46, r:     664.92
Peak table: 133(sub) 133(all)
Best cell:    35 indexed, Niggli mI(27, 2):    12.57     5.33    10.38    90.73   106.99    90.44 prim:    332.46, red:     664.92
Make subset: 0.00001
Make T-vectors: 0.02005
Make unit cell: 0.06047
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 34 obs out of 133 (total:133,skipped:0) (25.56%)
   UB - matrix:
       0.002994    0.002469   -0.001136   (  0.000015    0.000053    0.000017 )
      -0.003654    0.001493   -0.000612   (  0.000005    0.000020    0.000006 )
       0.002428    0.002349    0.002450   (  0.000007    0.000026    0.000008 )
   M - matrix:
       0.000029    0.000008    0.000005   (  0.000001    0.000000    0.000000 )
       0.000008    0.000014    0.000002   (  0.000000    0.000000    0.000000 )
       0.000005    0.000002    0.000008   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.31(11)   7.37(13)   9.45(9)       
      95(1)     106(1)     111(2)    
      V = 325(8) 
UB fit with 34 obs out of 133 (total:133,skipped:0) (25.56%)
   UB - matrix:
       0.003064    0.002471   -0.001148   (  0.000050    0.000006    0.000005 )
      -0.003662    0.001462   -0.000644   (  0.000133    0.000015    0.000013 )
       0.002413    0.002382    0.002489   (  0.000152    0.000018    0.000015 )
   M - matrix:
       0.000029    0.000008    0.000005   (  0.000001    0.000000    0.000000 )
       0.000008    0.000014    0.000002   (  0.000000    0.000000    0.000000 )
       0.000005    0.000002    0.000008   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.31(11)   7.37(13)   9.45(9)       
      95(1)     106(1)     111(2)    
      V = 325(8) 
UB fit with 33 obs out of 133 (total:133,skipped:0) (24.81%)
   UB - matrix:
       0.003046    0.002465   -0.001151   (  0.000052    0.000006    0.000005 )
      -0.003695    0.001450   -0.000649   (  0.000108    0.000012    0.000010 )
       0.002476    0.002405    0.002500   (  0.000118    0.000014    0.000011 )
   M - matrix:
       0.000029    0.000008    0.000005   (  0.000001    0.000000    0.000000 )
       0.000008    0.000014    0.000002   (  0.000000    0.000000    0.000000 )
       0.000005    0.000002    0.000008   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.29(9)   7.37(11)   9.45(7)       
      95.1(9)  106(1)     111(1)    
      V = 323(7) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 34 obs out of 133 (total:133,skipped:0) (25.56%)
   UB - matrix:
       0.003064    0.002471   -0.001148   (  0.000050    0.000006    0.000005 )
      -0.003662    0.001462   -0.000644   (  0.000133    0.000015    0.000013 )
       0.002413    0.002382    0.002489   (  0.000152    0.000018    0.000015 )
   M - matrix:
       0.000029    0.000008    0.000005   (  0.000001    0.000000    0.000000 )
       0.000008    0.000014    0.000002   (  0.000000    0.000000    0.000000 )
       0.000005    0.000002    0.000008   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.31(11)   7.37(13)   9.45(9)       
      95(1)     106(1)     111(2)    
      V = 325(8) 
   No constraint
   UB - matrix:
      -0.000657    0.002388   -0.001808   (  0.000004    0.000053    0.000004 )
      -0.000395   -0.004112   -0.001048   (  0.000007    0.000092    0.000007 )
      -0.002458    0.000044    0.000045   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000007   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000023   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001   -0.000000    0.000004   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.000657    0.002388   -0.001808   (  0.000004    0.000053    0.000004 )
      -0.000395   -0.004112   -0.001048   (  0.000007    0.000092    0.000007 )
      -0.002458    0.000044    0.000045   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000007    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
       0.000000    0.000021    0.000000   (  0.000000    0.000002    0.000000 )
       0.000001    0.000000    0.000004   (  0.000000    0.000000    0.000000 )
UB fit with 31 obs out of 133 (total:133,skipped:0) (23.31%)
    unit cell:
      10.14(3)   5.28(7) 12.50(11)       
      90.0(9)  106.1(7)  89.8(9)   
      V = 643(12) 
    unit cell:
      10.04(3)   5.4(2) 12.39(3)       
      90.0     106.1(3) 90.0     
      V = 643(20) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:15 2024)
*******************************************************************************************************

Bravais lattice type: I

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:15 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 471 peaks in the peak location table
471 peak locations are merged to 138 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 138 unindexed peaks to the CrysAlis peak table (138 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:15 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
248 peak differences on 67 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743795!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.06015
Make unit cell: 0.04821
Primitive unit cell refinement
UB fit with 18 obs out of 248 (total:248,skipped:0) (7.26%)
   UB - matrix:
       0.003064    0.002471   -0.001148   (  0.000004    0.000053    0.000004 )
      -0.003662    0.001462   -0.000644   (  0.000007    0.000092    0.000007 )
       0.002413    0.002382    0.002489   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000007   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000023   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001   -0.000000    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
       5.31(9)   7.37(11)   9.45(11)       
      95(1)    106(1)     111(1)     
      V = 325(8) 
   No constraint
   UB - matrix:
      -0.000661    0.002403   -0.001809   (  0.000004    0.000053    0.000004 )
      -0.000409   -0.004072   -0.001053   (  0.000007    0.000092    0.000007 )
      -0.002435   -0.000022    0.000054   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000007   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000023   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000001   -0.000000    0.000004   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.000661    0.002403   -0.001809   (  0.000004    0.000053    0.000004 )
      -0.000409   -0.004072   -0.001053   (  0.000007    0.000092    0.000007 )
      -0.002435   -0.000022    0.000054   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000007    0.000000    0.000002   (  0.000001    0.000000    0.000000 )
       0.000000    0.000021    0.000000   (  0.000000    0.000033    0.000000 )
       0.000002    0.000000    0.000004   (  0.000000    0.000000    0.000000 )
UB fit with 16 obs out of 248 (total:248,skipped:0) (6.45%)
    unit cell:
      10.23(3)   5.31(7) 12.48(11)       
      89.4(9)  106.2(8)  90.8(9)   
      V = 651(12) 
    unit cell:
      10.1(5)   5(4) 12.4(4)       
      90.0    106(2) 90.0    
      V = 651(500) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743795!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:   2 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:   3 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:   4 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:   5 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:   6 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:   7 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:   8 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   9 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  10 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:  11 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  12 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  13 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  14 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:  15 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  16 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  17 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  18 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
UM TTTSOLUTION  1:  19 29(sub) 26(all), aP(44, 0)    3.89    4.50    6.01  96.78 101.72 110.78 pr:     94.36, r:      94.36
UM TTTSOLUTION  2:  20 29(sub) 25(all), aP(31, 0)    4.58    4.66    5.46  87.65  75.75  70.50 pr:    106.19, r:     106.19
Peak table: 138(sub) 138(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.89     4.50     6.01    96.78   101.72   110.78 prim:     94.36, red:      94.36
Make subset: 0.00001
Make T-vectors: 0.01774
Make unit cell: 0.04401
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 26 obs out of 138 (total:138,skipped:0) (18.84%)
   UB - matrix:
       0.001350    0.001139   -0.003788   (  0.000004    0.000053    0.000004 )
       0.005385    0.005264    0.002108   (  0.000007    0.000092    0.000007 )
       0.004506   -0.002861    0.000440   (  0.000008    0.000096    0.000007 )
   M - matrix:
       0.000034    0.000004   -0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028   -0.000002   (  0.000002    0.000003    0.000002 )
      -0.000003   -0.000002    0.000017   (  0.000002    0.000002    0.000002 )
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      86(5)   83(5)   96(4)   
      V = 124(11) 
UB fit with 26 obs out of 138 (total:138,skipped:0) (18.84%)
   UB - matrix:
       0.001069    0.000887   -0.004143   (  0.000202    0.000213    0.000252 )
       0.004020    0.004042    0.000383   (  0.000249    0.000261    0.000310 )
       0.004137   -0.003310   -0.000104   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000034    0.000004   -0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028   -0.000002   (  0.000002    0.000003    0.000002 )
      -0.000003   -0.000002    0.000017   (  0.000002    0.000002    0.000002 )
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      86(5)   83(5)   96(4)   
      V = 124(11) 
UB fit with 26 obs out of 138 (total:138,skipped:0) (18.84%)
   UB - matrix:
       0.001069    0.000887   -0.004143   (  0.000202    0.000213    0.000252 )
       0.004020    0.004042    0.000383   (  0.000249    0.000261    0.000310 )
       0.004137   -0.003310   -0.000104   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000034    0.000004   -0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028   -0.000002   (  0.000002    0.000003    0.000002 )
      -0.000003   -0.000002    0.000017   (  0.000002    0.000002    0.000002 )
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      86(5)   83(5)   96(4)   
      V = 124(11) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 26 obs out of 138 (total:138,skipped:0) (18.84%)
   UB - matrix:
       0.001069    0.000887   -0.004143   (  0.000202    0.000213    0.000252 )
       0.004020    0.004042    0.000383   (  0.000249    0.000261    0.000310 )
       0.004137   -0.003310   -0.000104   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000034    0.000004   -0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028   -0.000002   (  0.000002    0.000003    0.000002 )
      -0.000003   -0.000002    0.000017   (  0.000002    0.000002    0.000002 )
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      86(5)   83(5)   96(4)   
      V = 124(11) 
   UB - matrix:
      -0.001069   -0.000887   -0.004143   (  0.000202    0.000213    0.000252 )
      -0.004020   -0.004042    0.000383   (  0.000249    0.000261    0.000310 )
      -0.004137    0.003310   -0.000104   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000034    0.000004    0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028    0.000002   (  0.000002    0.000003    0.000002 )
       0.000003    0.000002    0.000017   (  0.000002    0.000002    0.000002 )
UB fit with 26 obs out of 138 (total:138,skipped:0) (18.84%)
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      94(5)   97(5)   96(4)   
      V = 124(11) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 476 peaks in the peak location table
476 peak locations are merged to 139 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 139 unindexed peaks to the CrysAlis peak table (139 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
244 peak differences on 68 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743796!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 244(sub) 244(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.06167
Make unit cell: 0.05503
Primitive unit cell refinement
UB fit with 4 obs out of 244 (total:244,skipped:0) (1.64%)
   UB - matrix:
       0.001069    0.000887   -0.004143   (  0.000202    0.000213    0.000252 )
       0.004020    0.004042    0.000383   (  0.000249    0.000261    0.000310 )
       0.004137   -0.003310   -0.000104   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000034    0.000004    0.000003   (  0.000003    0.000002    0.000002 )
       0.000004    0.000028    0.000002   (  0.000002    0.000003    0.000002 )
       0.000003    0.000002    0.000017   (  0.000002    0.000002    0.000002 )
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      86(5)   83(5)   96(4)   
      V = 124(11) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 4 obs out of 244 (total:244,skipped:0) (1.64%)
    unit cell:
       4.3(2)  4.8(2)  6.1(4)       
      94(5)   97(5)   96(4)   
      V = 124(11) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743796!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 139(sub) 139(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 139(sub) 139(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 139(sub) 139(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:   2 25(sub) 20(all), aP(31, 0)    6.18    7.44   20.74  84.42  88.12  68.00 pr:    880.73, r:     880.73
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTTSOLUTION  1:   3 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:   4 25(sub) 20(all), aP(31, 0)    6.18    7.44   20.74  84.42  88.12  68.00 pr:    880.73, r:     880.73
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTTSOLUTION  1:   5 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTTSOLUTION  1:   6 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:   7 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   8 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:   9 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTTSOLUTION  1:  10 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:  11 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  12 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  2:  13 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    26 indexed, Niggli mC(27, 2):    13.74     5.55    20.19    89.53   102.28    89.12 prim:    751.74, red:    1503.49
UM TTTSOLUTION  1:  14 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  15 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  3:  16 29(sub) 25(all), aP(31, 0)    4.58    4.67    5.45  87.56  75.43  70.92 pr:    106.42, r:     106.42
UM TTTSOLUTION  4:  17 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  5:  18 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  19 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  20 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  21 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  22 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  5:  23 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  24 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  2:  25 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  26 29(sub) 25(all), aP(31, 0)    4.58    4.67    5.45  87.56  75.43  70.92 pr:    106.42, r:     106.42
UM TTTSOLUTION  4:  27 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  5:  28 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    29 indexed, Niggli aP(44, 0):     3.88     4.44     6.06    97.77   101.13   110.43 prim:     93.74, red:      93.74
UM TTTSOLUTION  1:  29 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  30 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  31 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  32 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
UM TTTSOLUTION  5:  33 24(sub) 20(all), aP(31, 0)    6.39    7.32   20.84  84.41  87.60  69.19 pr:    907.26, r:     907.26
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  34 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  35 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  36 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  37 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  38 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  39 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  40 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  41 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  42 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  43 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  44 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  45 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  46 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  47 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  48 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  49 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
UM TTTSOLUTION  1:  50 28(sub) 32(all), aP(44, 0)    4.24    5.30    6.90 101.69 104.81 104.86 pr:    138.69, r:     138.69
UM TTTSOLUTION  2:  51 27(sub) 27(all), mI(43, 2)    4.05   13.10    6.03  89.97 102.97  89.17 pr:    155.92, r:     311.83
UM TTTSOLUTION  3:  52 29(sub) 26(all), aP(44, 0)    3.88    4.44    6.06  97.77 101.13 110.43 pr:     93.74, r:      93.74
UM TTTSOLUTION  4:  53 26(sub) 22(all), mC(27, 2)   13.74    5.55   20.19  89.53 102.28  89.12 pr:    751.74, r:    1503.49
Peak table: 139(sub) 139(all)
Best cell:    28 indexed, Niggli aP(44, 0):     4.24     5.30     6.90   101.69   104.81   104.86 prim:    138.69, red:     138.69
Make subset: 0.00001
Make T-vectors: 0.02566
Make unit cell: 0.11061
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 7 obs out of 139 (total:139,skipped:0) (5.04%)
   UB - matrix:
       0.001371   -0.004113    0.000741   (  0.000202    0.000213    0.000252 )
      -0.003383   -0.002727   -0.003724   (  0.000249    0.000261    0.000310 )
       0.005358    0.001346   -0.000997   (  0.000224    0.000235    0.000279 )
   M - matrix:
       0.000015   -0.000009    0.000012   (  0.000003    0.000002    0.000003 )
      -0.000009    0.000046   -0.000035   (  0.000002    0.000002    0.000003 )
       0.000012   -0.000035    0.000070   (  0.000003    0.000003    0.000005 )
    unit cell:
       7.1(4)   4.8(2)  3.92(18)       
      56(6)   103(5)   81(5)     
      V = 100(10) 
UB fit with 7 obs out of 139 (total:139,skipped:0) (5.04%)
   UB - matrix:
       0.003372   -0.004869    0.003253   (  0.000374    0.000137    0.000460 )
      -0.001896   -0.003346   -0.001743   (  0.000211    0.000077    0.000260 )
       0.000249    0.003317   -0.007494   (  0.000229    0.000084    0.000282 )
   M - matrix:
       0.000015   -0.000009    0.000012   (  0.000003    0.000002    0.000003 )
      -0.000009    0.000046   -0.000035   (  0.000002    0.000002    0.000003 )
       0.000012   -0.000035    0.000070   (  0.000003    0.000003    0.000005 )
    unit cell:
       7.1(4)   4.8(2)  3.92(18)       
      56(6)   103(5)   81(5)     
      V = 100(10) 
UB fit with 32 obs out of 139 (total:139,skipped:0) (23.02%)
   UB - matrix:
       0.003372   -0.004869    0.003253   (  0.000374    0.000137    0.000460 )
      -0.001896   -0.003346   -0.001743   (  0.000211    0.000077    0.000260 )
       0.000249    0.003317   -0.007494   (  0.000229    0.000084    0.000282 )
   M - matrix:
       0.000016   -0.000013    0.000014   (  0.000001    0.000002    0.000003 )
      -0.000013    0.000048   -0.000038   (  0.000002    0.000001    0.000002 )
       0.000014   -0.000038    0.000071   (  0.000003    0.000002    0.000006 )
    unit cell:
       7.2(4)  5.0(3)  4.0(3)       
      55(7)   99(5)   73(5)   
      V = 105(10) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 7 obs out of 139 (total:139,skipped:0) (5.04%)
   UB - matrix:
       0.001371   -0.004113    0.000741   (  0.000374    0.000137    0.000460 )
      -0.003383   -0.002727   -0.003724   (  0.000211    0.000077    0.000260 )
       0.005358    0.001346   -0.000997   (  0.000229    0.000084    0.000282 )
   M - matrix:
       0.000015   -0.000009    0.000012   (  0.000003    0.000002    0.000003 )
      -0.000009    0.000046   -0.000035   (  0.000002    0.000002    0.000003 )
       0.000012   -0.000035    0.000070   (  0.000003    0.000003    0.000005 )
    unit cell:
       7.1(4)   4.8(2)  3.92(18)       
      56(6)   103(5)   81(5)     
      V = 100(10) 
   UB - matrix:
       0.003372   -0.004869    0.003253   (  0.000374    0.000137    0.000460 )
      -0.001896   -0.003346   -0.001743   (  0.000211    0.000077    0.000260 )
       0.000249    0.003317   -0.007494   (  0.000229    0.000084    0.000282 )
   M - matrix:
       0.000015   -0.000009    0.000012   (  0.000003    0.000002    0.000003 )
      -0.000009    0.000046   -0.000035   (  0.000002    0.000002    0.000003 )
       0.000012   -0.000035    0.000070   (  0.000003    0.000003    0.000005 )
UB fit with 32 obs out of 139 (total:139,skipped:0) (23.02%)
    unit cell:
       7.1(4)   4.8(2)  3.92(18)       
      56(6)   103(5)   81(5)     
      V = 100(10) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 506 peaks in the peak location table
506 peak locations are merged to 150 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 150 unindexed peaks to the CrysAlis peak table (150 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:16 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
276 peak differences on 72 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743796!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 276(sub) 276(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08804
Make unit cell: 0.05074
Primitive unit cell refinement
UB fit with 10 obs out of 276 (total:276,skipped:0) (3.62%)
   UB - matrix:
       0.001371   -0.004113    0.000741   (  0.000374    0.000137    0.000460 )
      -0.003383   -0.002727   -0.003724   (  0.000211    0.000077    0.000260 )
       0.005358    0.001346   -0.000997   (  0.000229    0.000084    0.000282 )
   M - matrix:
       0.000033    0.000013    0.000006   (  0.000004    0.000002    0.000002 )
       0.000013    0.000023    0.000004   (  0.000002    0.000002    0.000001 )
       0.000006    0.000004    0.000014   (  0.000002    0.000001    0.000002 )
    unit cell:
       5.1(4)   6.1(4)   7.1(4)       
      96(5)   101(6)   117(7)   
      V = 187(20) 
   UB - matrix:
       0.000823   -0.003688    0.000572   (  0.000389    0.000203    0.000299 )
      -0.003295   -0.002423   -0.003425   (  0.000317    0.000166    0.000244 )
       0.004650    0.001771   -0.001257   (  0.000357    0.000186    0.000274 )
   M - matrix:
       0.000033    0.000013    0.000006   (  0.000004    0.000002    0.000002 )
       0.000013    0.000023    0.000004   (  0.000002    0.000002    0.000001 )
       0.000006    0.000004    0.000014   (  0.000002    0.000001    0.000002 )
UB fit with 18 obs out of 276 (total:276,skipped:0) (6.52%)
    unit cell:
       5.1(4)   6.1(4)   7.1(4)       
      96(5)   101(6)   117(7)   
      V = 187(20) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743797!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 150(sub) 150(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.04630
Make unit cell: 0.05679
   UB - matrix:
       0.000823   -0.003688    0.000572   (  0.000389    0.000203    0.000299 )
      -0.003295   -0.002423   -0.003425   (  0.000317    0.000166    0.000244 )
       0.004650    0.001771   -0.001257   (  0.000357    0.000186    0.000274 )
   M - matrix:
       0.000033    0.000013    0.000006   (  0.000004    0.000002    0.000002 )
       0.000013    0.000023    0.000004   (  0.000002    0.000002    0.000001 )
       0.000006    0.000004    0.000014   (  0.000002    0.000001    0.000002 )
UB fit with 3 obs out of 150 (total:150,skipped:0) (2.00%)
    unit cell:
       5.1(4)   6.1(4)   7.1(4)       
      96(5)   101(6)   117(7)   
      V = 187(20) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
   UB - matrix:
       0.003713   -0.004972    0.003611   (  0.000143    0.000038    0.000149 )
      -0.001453   -0.003468   -0.001327   (  0.000251    0.000067    0.000262 )
       0.000183    0.003307   -0.007450   (  0.000371    0.000098    0.000387 )
   M - matrix:
       0.000016   -0.000013    0.000014   (  0.000001    0.000002    0.000003 )
      -0.000013    0.000048   -0.000038   (  0.000002    0.000001    0.000002 )
       0.000014   -0.000038    0.000070   (  0.000003    0.000002    0.000006 )
UB fit with 36 obs out of 150 (total:150,skipped:0) (24.00%)
    unit cell:
       7.2(3)  5.0(2)  4.0(3)       
      55(6)   100(5)   74(4)   
      V = 104(9) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 522 peaks in the peak location table
522 peak locations are merged to 153 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 153 unindexed peaks to the CrysAlis peak table (153 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
270 peak differences on 74 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743797!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09091
Make unit cell: 0.03644
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743797!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 153(sub) 153(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.03734
Make unit cell: 0.02990
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000143    0.000038    0.000149 )
       0.000000    0.025000    0.000000   (  0.000251    0.000067    0.000262 )
       0.000000    0.000000    0.025000   (  0.000371    0.000098    0.000387 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000007    0.000006    0.000010 )
       0.000000    0.000625    0.000000   (  0.000006    0.000003    0.000007 )
       0.000000    0.000000    0.000625   (  0.000010    0.000007    0.000019 )
UB fit with 16 obs out of 153 (total:153,skipped:0) (10.46%)
    unit cell:
       1.004(6)  1.004(3)  1.004(16)       
      90.0(6)   90.0(9)   90.0(6)    
      V = 1.012(17) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 532 peaks in the peak location table
532 peak locations are merged to 157 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 157 unindexed peaks to the CrysAlis peak table (157 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:17 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
286 peak differences on 75 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743797!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 286(sub) 286(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09721
Make unit cell: 0.05286
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743797!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 157(sub) 157(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.03776
Make unit cell: 0.03032
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000143    0.000038    0.000149 )
       0.000000    0.025000    0.000000   (  0.000251    0.000067    0.000262 )
       0.000000    0.000000    0.025000   (  0.000371    0.000098    0.000387 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000007    0.000006    0.000010 )
       0.000000    0.000625    0.000000   (  0.000006    0.000003    0.000007 )
       0.000000    0.000000    0.000625   (  0.000010    0.000007    0.000019 )
UB fit with 17 obs out of 157 (total:157,skipped:0) (10.83%)
    unit cell:
       1.004(6)  1.004(3)  1.004(16)       
      90.0(6)   90.0(9)   90.0(6)    
      V = 1.012(17) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 543 peaks in the peak location table
543 peak locations are merged to 161 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 161 unindexed peaks to the CrysAlis peak table (161 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
302 peak differences on 76 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743798!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 302(sub) 302(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.11469
Make unit cell: 0.05421
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743798!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 161(sub) 161(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.04197
Make unit cell: 0.03885
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000143    0.000038    0.000149 )
       0.000000    0.025000    0.000000   (  0.000251    0.000067    0.000262 )
       0.000000    0.000000    0.025000   (  0.000371    0.000098    0.000387 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000007    0.000006    0.000010 )
       0.000000    0.000625    0.000000   (  0.000006    0.000003    0.000007 )
       0.000000    0.000000    0.000625   (  0.000010    0.000007    0.000019 )
UB fit with 17 obs out of 161 (total:161,skipped:0) (10.56%)
    unit cell:
       1.004(6)  1.004(3)  1.004(16)       
      90.0(6)   90.0(9)   90.0(6)    
      V = 1.012(17) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 569 peaks in the peak location table
569 peak locations are merged to 167 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 167 unindexed peaks to the CrysAlis peak table (167 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:18 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
300 peak differences on 79 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743798!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 300(sub) 300(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00008
Make T-vectors: 0.10645
Make unit cell: 0.04163
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743798!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 167(sub) 167(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 167(sub) 167(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 167(sub) 167(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:   2 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:   3 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:   4 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:   5 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:   6 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:   7 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:   8 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   9 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  10 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:  11 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  12 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  13 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  14 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:  15 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  16 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  17 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  18 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
UM TTTSOLUTION  1:  19 25(sub) 38(all), aP(44, 0)    3.84   10.82   12.97 106.41  94.08  92.20 pr:    513.74, r:     513.74
UM TTTSOLUTION  2:  20 24(sub) 27(all), aP(44, 0)    5.13    8.53   13.67  98.23 100.24  97.26 pr:    575.31, r:     575.31
Peak table: 167(sub) 167(all)
Best cell:    25 indexed, Niggli aP(44, 0):     3.84    10.82    12.97   106.41    94.08    92.20 prim:    513.74, red:     513.74
Make subset: 0.00001
Make T-vectors: 0.02399
Make unit cell: 0.05130
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 30 obs out of 167 (total:167,skipped:0) (17.96%)
   UB - matrix:
       0.002814   -0.002040   -0.000897   (  0.000143    0.000038    0.000149 )
      -0.005941   -0.001135   -0.000604   (  0.000251    0.000067    0.000262 )
      -0.000044    0.000648   -0.001713   (  0.000371    0.000098    0.000387 )
   M - matrix:
       0.000039    0.000001    0.000001   (  0.000003    0.000001    0.000000 )
       0.000001    0.000006    0.000002   (  0.000001    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
        4.01(12) 10.69(18) 12.88(6)       
      107.9(8)   93.9(10)  91(2)    
      V = 524(20) 
UB fit with 30 obs out of 167 (total:167,skipped:0) (17.96%)
   UB - matrix:
       0.002902   -0.002064   -0.000938   (  0.000230    0.000019    0.000016 )
      -0.005561   -0.001187   -0.000632   (  0.000242    0.000020    0.000017 )
      -0.000099    0.000654   -0.001714   (  0.000079    0.000007    0.000005 )
   M - matrix:
       0.000039    0.000001    0.000001   (  0.000003    0.000001    0.000000 )
       0.000001    0.000006    0.000002   (  0.000001    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
        4.01(12) 10.69(18) 12.88(6)       
      107.9(8)   93.9(10)  91(2)    
      V = 524(20) 
UB fit with 38 obs out of 167 (total:167,skipped:0) (22.75%)
   UB - matrix:
       0.003057   -0.002087   -0.000957   (  0.000124    0.000009    0.000007 )
      -0.005653   -0.001181   -0.000645   (  0.000194    0.000014    0.000011 )
      -0.000104    0.000657   -0.001707   (  0.000075    0.000005    0.000004 )
   M - matrix:
       0.000041    0.000000    0.000001   (  0.000002    0.000000    0.000000 )
       0.000000    0.000006    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
        3.91(9) 10.65(11) 12.88(4)       
      108.6(6)  93.8(7)   90(1)    
      V = 508(14) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 30 obs out of 167 (total:167,skipped:0) (17.96%)
   UB - matrix:
       0.002902   -0.002064   -0.000938   (  0.000230    0.000019    0.000016 )
      -0.005561   -0.001187   -0.000632   (  0.000242    0.000020    0.000017 )
      -0.000099    0.000654   -0.001714   (  0.000079    0.000007    0.000005 )
   M - matrix:
       0.000039    0.000001    0.000001   (  0.000003    0.000001    0.000000 )
       0.000001    0.000006    0.000002   (  0.000001    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
        4.01(12) 10.69(18) 12.88(6)       
      107.9(8)   93.9(10)  91(2)    
      V = 524(20) 
   UB - matrix:
       0.003057   -0.002087   -0.000957   (  0.000124    0.000009    0.000007 )
      -0.005653   -0.001181   -0.000645   (  0.000194    0.000014    0.000011 )
      -0.000104    0.000657   -0.001707   (  0.000075    0.000005    0.000004 )
   M - matrix:
       0.000041    0.000000    0.000001   (  0.000002    0.000000    0.000000 )
       0.000000    0.000006    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
UB fit with 39 obs out of 167 (total:167,skipped:0) (23.35%)
    unit cell:
        3.91(9) 10.65(11) 12.88(4)       
      108.6(6)  93.8(7)   90(1)    
      V = 508(14) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 584 peaks in the peak location table
584 peak locations are merged to 174 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 174 unindexed peaks to the CrysAlis peak table (174 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
322 peak differences on 81 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743799!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 322(sub) 322(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.11270
Make unit cell: 0.04278
Primitive unit cell refinement
UB fit with 20 obs out of 322 (total:322,skipped:0) (6.21%)
   UB - matrix:
       0.002902   -0.002064   -0.000938   (  0.000124    0.000009    0.000007 )
      -0.005561   -0.001187   -0.000632   (  0.000194    0.000014    0.000011 )
      -0.000099    0.000654   -0.001714   (  0.000075    0.000005    0.000004 )
   M - matrix:
       0.000036   -0.000000    0.000001   (  0.000003    0.000000    0.000000 )
      -0.000000    0.000006    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
        4.20(13) 10.62(13) 12.85(4)       
      108.3(5)   93.6(8)   87(2)    
      V = 543(20) 
   UB - matrix:
       0.002982   -0.002098   -0.000973   (  0.000086    0.000005    0.000006 )
      -0.005189   -0.001168   -0.000590   (  0.000260    0.000016    0.000018 )
      -0.000280    0.000660   -0.001717   (  0.000057    0.000004    0.000004 )
   M - matrix:
       0.000036   -0.000000    0.000001   (  0.000003    0.000000    0.000000 )
      -0.000000    0.000006    0.000002   (  0.000000    0.000000    0.000000 )
       0.000001    0.000002    0.000004   (  0.000000    0.000000    0.000000 )
UB fit with 22 obs out of 322 (total:322,skipped:0) (6.83%)
    unit cell:
        4.20(13) 10.62(13) 12.85(4)       
      108.3(5)   93.6(8)   87(2)    
      V = 543(20) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743799!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 174(sub) 174(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 37(sub) 46(all), aP(31, 0)    5.15    6.10    6.56  63.58  79.37  84.30 pr:    181.14, r:     181.14
UM TTTSOLUTION  2:   2 42(sub) 44(all), aP(44, 0)    5.98    6.04    7.17 113.91 106.76  96.64 pr:    218.92, r:     218.92
Peak table: 174(sub) 174(all)
Best cell:    37 indexed, Niggli aP(31, 0):     5.15     6.10     6.56    63.58    79.37    84.30 prim:    181.14, red:     181.14
UM TTTSOLUTION  1:   3 37(sub) 46(all), aP(31, 0)    5.15    6.10    6.56  63.58  79.37  84.30 pr:    181.14, r:     181.14
UM TTTSOLUTION  2:   4 42(sub) 44(all), aP(44, 0)    5.98    6.04    7.17 113.91 106.76  96.64 pr:    218.92, r:     218.92
Peak table: 174(sub) 174(all)
Best cell:    37 indexed, Niggli aP(31, 0):     5.15     6.10     6.56    63.58    79.37    84.30 prim:    181.14, red:     181.14
UM TTTSOLUTION  1:   5 37(sub) 46(all), aP(31, 0)    5.15    6.10    6.56  63.58  79.37  84.30 pr:    181.14, r:     181.14
UM TTTSOLUTION  2:   6 42(sub) 44(all), aP(44, 0)    5.98    6.04    7.17 113.91 106.76  96.64 pr:    218.92, r:     218.92
Peak table: 174(sub) 174(all)
Best cell:    37 indexed, Niggli aP(31, 0):     5.15     6.10     6.56    63.58    79.37    84.30 prim:    181.14, red:     181.14
UM TTTSOLUTION  1:   7 37(sub) 46(all), aP(31, 0)    5.15    6.10    6.56  63.58  79.37  84.30 pr:    181.14, r:     181.14
UM TTTSOLUTION  2:   8 42(sub) 44(all), aP(44, 0)    5.98    6.04    7.17 113.91 106.76  96.64 pr:    218.92, r:     218.92
Peak table: 174(sub) 174(all)
Best cell:    37 indexed, Niggli aP(31, 0):     5.15     6.10     6.56    63.58    79.37    84.30 prim:    181.14, red:     181.14
Make subset: 0.00002
Make T-vectors: 0.02884
Make unit cell: 0.03970
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 46 obs out of 174 (total:174,skipped:0) (26.44%)
   UB - matrix:
      -0.004067    0.001649    0.001665   (  0.000086    0.000005    0.000006 )
       0.002818    0.001673    0.001704   (  0.000260    0.000016    0.000018 )
       0.000391    0.003953   -0.003611   (  0.000057    0.000004    0.000004 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000009   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000009    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(13)  6.12(13)  6.71(15)       
      63(2)     77(2)     82(2)     
      V = 187(6) 
UB fit with 46 obs out of 174 (total:174,skipped:0) (26.44%)
   UB - matrix:
      -0.004131    0.001688    0.001629   (  0.000176    0.000027    0.000023 )
       0.002629    0.001667    0.001664   (  0.000142    0.000022    0.000019 )
       0.000479    0.003938   -0.003582   (  0.000206    0.000031    0.000027 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000009   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000009    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(13)  6.12(13)  6.71(15)       
      63(2)     77(2)     82(2)     
      V = 187(6) 
UB fit with 46 obs out of 174 (total:174,skipped:0) (26.44%)
   UB - matrix:
      -0.004103    0.001690    0.001635   (  0.000172    0.000026    0.000022 )
       0.002599    0.001673    0.001653   (  0.000146    0.000022    0.000018 )
       0.000495    0.003925   -0.003572   (  0.000199    0.000031    0.000025 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.29(13)  6.12(13)  6.73(15)       
      63(2)     76(2)     82(2)     
      V = 189(7) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 46 obs out of 174 (total:174,skipped:0) (26.44%)
   UB - matrix:
      -0.004131    0.001688    0.001629   (  0.000176    0.000027    0.000023 )
       0.002629    0.001667    0.001664   (  0.000142    0.000022    0.000019 )
       0.000479    0.003938   -0.003582   (  0.000206    0.000031    0.000027 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000009   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000009    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(13)  6.12(13)  6.71(15)       
      63(2)     77(2)     82(2)     
      V = 187(6) 
   UB - matrix:
      -0.004103    0.001690    0.001635   (  0.000172    0.000026    0.000022 )
       0.002599    0.001673    0.001653   (  0.000146    0.000022    0.000018 )
       0.000495    0.003925   -0.003572   (  0.000199    0.000031    0.000025 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
UB fit with 45 obs out of 174 (total:174,skipped:0) (25.86%)
    unit cell:
       5.29(13)  6.12(13)  6.73(15)       
      63(2)     76(2)     82(2)     
      V = 189(7) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 595 peaks in the peak location table
595 peak locations are merged to 180 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 180 unindexed peaks to the CrysAlis peak table (180 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:19 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
349 peak differences on 82 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743799!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 349(sub) 349(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00008
Make T-vectors: 0.12196
Make unit cell: 0.05386
Primitive unit cell refinement
UB fit with 12 obs out of 349 (total:349,skipped:0) (3.44%)
   UB - matrix:
      -0.004131    0.001688    0.001629   (  0.000172    0.000026    0.000022 )
       0.002629    0.001667    0.001664   (  0.000146    0.000022    0.000018 )
       0.000479    0.003938   -0.003582   (  0.000199    0.000031    0.000025 )
   M - matrix:
       0.000020   -0.000000   -0.000003   (  0.000002    0.000002    0.000002 )
      -0.000000    0.000021   -0.000008   (  0.000002    0.000001    0.000000 )
      -0.000003   -0.000008    0.000018   (  0.000002    0.000000    0.000000 )
    unit cell:
       5.62(18)  6.1(2)  6.5(2)       
      65(4)     81(3)   85(3)   
      V = 199(9) 
   UB - matrix:
      -0.003572    0.001814    0.001624   (  0.000132    0.000023    0.000013 )
       0.002747    0.001631    0.001697   (  0.000246    0.000043    0.000024 )
       0.000407    0.003855   -0.003593   (  0.000400    0.000070    0.000039 )
   M - matrix:
       0.000020   -0.000000   -0.000003   (  0.000002    0.000002    0.000002 )
      -0.000000    0.000021   -0.000008   (  0.000002    0.000001    0.000000 )
      -0.000003   -0.000008    0.000018   (  0.000002    0.000000    0.000000 )
UB fit with 14 obs out of 349 (total:349,skipped:0) (4.01%)
    unit cell:
       5.62(18)  6.1(2)  6.5(2)       
      65(4)     81(3)   85(3)   
      V = 199(9) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743800!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 180(sub) 180(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 38(sub) 43(all), aP(31, 0)    5.36    6.01    6.59  66.13  78.81  85.58 pr:    190.69, r:     190.69
Peak table: 180(sub) 180(all)
Best cell:    38 indexed, Niggli aP(31, 0):     5.36     6.01     6.59    66.13    78.81    85.58 prim:    190.69, red:     190.69
UM TTTSOLUTION  1:   2 38(sub) 43(all), aP(31, 0)    5.36    6.01    6.59  66.13  78.81  85.58 pr:    190.69, r:     190.69
Peak table: 180(sub) 180(all)
Best cell:    38 indexed, Niggli aP(31, 0):     5.36     6.01     6.59    66.13    78.81    85.58 prim:    190.69, red:     190.69
UM TTTSOLUTION  1:   3 38(sub) 43(all), aP(31, 0)    5.36    6.01    6.59  66.13  78.81  85.58 pr:    190.69, r:     190.69
Peak table: 180(sub) 180(all)
Best cell:    38 indexed, Niggli aP(31, 0):     5.36     6.01     6.59    66.13    78.81    85.58 prim:    190.69, red:     190.69
UM TTTSOLUTION  1:   4 38(sub) 43(all), aP(31, 0)    5.36    6.01    6.59  66.13  78.81  85.58 pr:    190.69, r:     190.69
Peak table: 180(sub) 180(all)
Best cell:    38 indexed, Niggli aP(31, 0):     5.36     6.01     6.59    66.13    78.81    85.58 prim:    190.69, red:     190.69
Make subset: 0.00001
Make T-vectors: 0.02346
Make unit cell: 0.04013
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 35 obs out of 180 (total:180,skipped:0) (19.44%)
   UB - matrix:
      -0.003873    0.001724    0.001668   (  0.000132    0.000023    0.000013 )
       0.002750    0.001800    0.001629   (  0.000246    0.000043    0.000024 )
       0.000460    0.003824   -0.003531   (  0.000400    0.000070    0.000039 )
   M - matrix:
       0.000024   -0.000001   -0.000003   (  0.000001    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000003   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(12)  6.10(11)  6.65(12)       
      64(2)     78(2)     83(2)     
      V = 188(6) 
UB fit with 35 obs out of 180 (total:180,skipped:0) (19.44%)
   UB - matrix:
      -0.004066    0.001728    0.001623   (  0.000153    0.000029    0.000019 )
       0.002689    0.001721    0.001649   (  0.000136    0.000026    0.000017 )
       0.000374    0.003860   -0.003564   (  0.000147    0.000028    0.000019 )
   M - matrix:
       0.000024   -0.000001   -0.000003   (  0.000001    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000003   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(12)  6.10(11)  6.65(12)       
      64(2)     78(2)     83(2)     
      V = 188(6) 
UB fit with 43 obs out of 180 (total:180,skipped:0) (23.89%)
   UB - matrix:
      -0.004072    0.001709    0.001631   (  0.000166    0.000027    0.000021 )
       0.002608    0.001680    0.001652   (  0.000150    0.000024    0.000019 )
       0.000452    0.003904   -0.003570   (  0.000185    0.000030    0.000023 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.31(13)  6.12(13)  6.70(14)       
      64(2)     77(2)     82(2)     
      V = 190(7) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 35 obs out of 180 (total:180,skipped:0) (19.44%)
   UB - matrix:
      -0.004066    0.001728    0.001623   (  0.000153    0.000029    0.000019 )
       0.002689    0.001721    0.001649   (  0.000136    0.000026    0.000017 )
       0.000374    0.003860   -0.003564   (  0.000147    0.000028    0.000019 )
   M - matrix:
       0.000024   -0.000001   -0.000003   (  0.000001    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000003   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
    unit cell:
       5.25(12)  6.10(11)  6.65(12)       
      64(2)     78(2)     83(2)     
      V = 188(6) 
   UB - matrix:
      -0.004072    0.001709    0.001631   (  0.000166    0.000027    0.000021 )
       0.002608    0.001680    0.001652   (  0.000150    0.000024    0.000019 )
       0.000452    0.003904   -0.003570   (  0.000185    0.000030    0.000023 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
UB fit with 45 obs out of 180 (total:180,skipped:0) (25.00%)
    unit cell:
       5.31(13)  6.12(13)  6.70(14)       
      64(2)     77(2)     82(2)     
      V = 190(7) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 634 peaks in the peak location table
634 peak locations are merged to 191 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 191 unindexed peaks to the CrysAlis peak table (191 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
381 peak differences on 85 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743800!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 381(sub) 381(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00010
Make T-vectors: 0.15513
Make unit cell: 0.06455
Primitive unit cell refinement
UB fit with 14 obs out of 381 (total:381,skipped:0) (3.67%)
   UB - matrix:
      -0.004066    0.001728    0.001623   (  0.000166    0.000027    0.000021 )
       0.002689    0.001721    0.001649   (  0.000150    0.000024    0.000019 )
       0.000374    0.003860   -0.003564   (  0.000185    0.000030    0.000023 )
   M - matrix:
       0.000014    0.000002   -0.000008   (  0.000002    0.000002    0.000001 )
       0.000002    0.000021   -0.000008   (  0.000002    0.000000    0.000000 )
      -0.000008   -0.000008    0.000017   (  0.000001    0.000000    0.000000 )
    unit cell:
       7.8(6)  6.1(4)  7.9(6)       
      64(7)   59(8)   81(6)   
      V = 289(30) 
   UB - matrix:
      -0.003204    0.001821    0.001693   (  0.000233    0.000032    0.000027 )
       0.001453    0.001547    0.001489   (  0.000384    0.000053    0.000044 )
       0.001358    0.003934   -0.003450   (  0.000364    0.000050    0.000042 )
   M - matrix:
       0.000014    0.000002   -0.000008   (  0.000002    0.000002    0.000001 )
       0.000002    0.000021   -0.000008   (  0.000002    0.000000    0.000000 )
      -0.000008   -0.000008    0.000017   (  0.000001    0.000000    0.000000 )
UB fit with 17 obs out of 381 (total:381,skipped:0) (4.46%)
    unit cell:
       7.8(6)  6.1(4)  7.9(6)       
      64(7)   59(8)   81(6)   
      V = 289(30) 
UM DELTATTT INFO: Unit cell not found. Previous settings restored
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743800!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 191(sub) 191(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.05436
Make unit cell: 0.03366
   UB - matrix:
      -0.003204    0.001821    0.001693   (  0.000233    0.000032    0.000027 )
       0.001453    0.001547    0.001489   (  0.000384    0.000053    0.000044 )
       0.001358    0.003934   -0.003450   (  0.000364    0.000050    0.000042 )
   M - matrix:
       0.000014    0.000000   -0.000007   (  0.000001    0.000001    0.000001 )
       0.000000    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000007   -0.000008    0.000017   (  0.000001    0.000000    0.000000 )
UB fit with 44 obs out of 191 (total:191,skipped:0) (23.04%)
    unit cell:
       7.67(18)  6.21(14)  7.69(16)       
      61(2)     61(2)     77(2)     
      V = 280(9) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
   UB - matrix:
      -0.004090    0.001695    0.001635   (  0.000167    0.000026    0.000021 )
       0.002602    0.001675    0.001653   (  0.000146    0.000023    0.000018 )
       0.000478    0.003918   -0.003572   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000024   -0.000001   -0.000004   (  0.000002    0.000001    0.000001 )
      -0.000001    0.000021   -0.000008   (  0.000001    0.000000    0.000000 )
      -0.000004   -0.000008    0.000018   (  0.000001    0.000000    0.000000 )
UB fit with 46 obs out of 191 (total:191,skipped:0) (24.08%)
    unit cell:
       5.30(13)  6.12(13)  6.72(15)       
      63(2)     76(2)     82(2)     
      V = 190(6) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 659 peaks in the peak location table
659 peak locations are merged to 199 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 199 unindexed peaks to the CrysAlis peak table (199 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:20 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
409 peak differences on 87 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743800!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 409(sub) 409(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00009
Make T-vectors: 0.15307
Make unit cell: 0.08340
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743801!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 199(sub) 199(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.05919
Make unit cell: 0.03623
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 25 obs out of 199 (total:199,skipped:0) (12.56%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 685 peaks in the peak location table
685 peak locations are merged to 202 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 202 unindexed peaks to the CrysAlis peak table (202 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
172 peak differences on 89 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743801!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 172(sub) 172(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06417
Make unit cell: 0.03027
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743801!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 202(sub) 202(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06657
Make unit cell: 0.06133
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 25 obs out of 202 (total:202,skipped:0) (12.38%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 709 peaks in the peak location table
709 peak locations are merged to 209 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 209 unindexed peaks to the CrysAlis peak table (209 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:21 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
179 peak differences on 90 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743801!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 179(sub) 179(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07784
Make unit cell: 0.04002
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743802!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 209(sub) 209(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.06984
Make unit cell: 0.03722
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 27 obs out of 209 (total:209,skipped:0) (12.92%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 733 peaks in the peak location table
733 peak locations are merged to 215 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 215 unindexed peaks to the CrysAlis peak table (215 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
185 peak differences on 92 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743802!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07097
Make unit cell: 0.03056
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743802!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07754
Make unit cell: 0.05950
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 27 obs out of 215 (total:215,skipped:0) (12.56%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 748 peaks in the peak location table
748 peak locations are merged to 217 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 217 unindexed peaks to the CrysAlis peak table (217 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:22 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
185 peak differences on 94 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743802!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 185(sub) 185(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07164
Make unit cell: 0.03235
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743802!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06535
Make unit cell: 0.03431
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 27 obs out of 217 (total:217,skipped:0) (12.44%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:23 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:23 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 758 peaks in the peak location table
758 peak locations are merged to 220 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 220 unindexed peaks to the CrysAlis peak table (220 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:23 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
187 peak differences on 96 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743803!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07232
Make unit cell: 0.03750
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743803!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06522
Make unit cell: 0.04315
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 27 obs out of 220 (total:220,skipped:0) (12.27%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 759 peaks in the peak location table
759 peak locations are merged to 221 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 221 unindexed peaks to the CrysAlis peak table (221 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
187 peak differences on 97 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743804!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 187(sub) 187(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00008
Make T-vectors: 0.08136
Make unit cell: 0.05594
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743804!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 221(sub) 221(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.06760
Make unit cell: 0.04530
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 27 obs out of 221 (total:221,skipped:0) (12.22%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 769 peaks in the peak location table
769 peak locations are merged to 227 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 227 unindexed peaks to the CrysAlis peak table (227 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
194 peak differences on 98 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743804!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07581
Make unit cell: 0.03936
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743804!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 227(sub) 227(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07123
Make unit cell: 0.03848
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 28 obs out of 227 (total:227,skipped:0) (12.33%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 778 peaks in the peak location table
778 peak locations are merged to 229 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 229 unindexed peaks to the CrysAlis peak table (229 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:24 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
194 peak differences on 100 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743804!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 194(sub) 194(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07503
Make unit cell: 0.03901
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743805!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 229(sub) 229(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08438
Make unit cell: 0.05802
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 28 obs out of 229 (total:229,skipped:0) (12.23%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 796 peaks in the peak location table
796 peak locations are merged to 237 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 237 unindexed peaks to the CrysAlis peak table (237 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
201 peak differences on 102 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743805!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 201(sub) 201(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08936
Make unit cell: 0.05301
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743805!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 237(sub) 237(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07350
Make unit cell: 0.05226
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 30 obs out of 237 (total:237,skipped:0) (12.66%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 810 peaks in the peak location table
810 peak locations are merged to 242 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 242 unindexed peaks to the CrysAlis peak table (242 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:25 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
206 peak differences on 104 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743805!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 206(sub) 206(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.08000
Make unit cell: 0.03187
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743806!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 242(sub) 242(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08584
Make unit cell: 0.05860
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 31 obs out of 242 (total:242,skipped:0) (12.81%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 822 peaks in the peak location table
822 peak locations are merged to 248 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 248 unindexed peaks to the CrysAlis peak table (248 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
212 peak differences on 106 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743806!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 212(sub) 212(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08332
Make unit cell: 0.04511
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743806!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 248(sub) 248(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08534
Make unit cell: 0.03791
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 32 obs out of 248 (total:248,skipped:0) (12.90%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 827 peaks in the peak location table
827 peak locations are merged to 251 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 251 unindexed peaks to the CrysAlis peak table (251 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:26 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
215 peak differences on 107 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743806!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 215(sub) 215(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08682
Make unit cell: 0.03547
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743806!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 251(sub) 251(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09429
Make unit cell: 0.04371
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 33 obs out of 251 (total:251,skipped:0) (13.15%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 834 peaks in the peak location table
834 peak locations are merged to 253 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 253 unindexed peaks to the CrysAlis peak table (253 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
217 peak differences on 108 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743807!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 217(sub) 217(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08856
Make unit cell: 0.04119
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743807!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08735
Make unit cell: 0.06594
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 34 obs out of 253 (total:253,skipped:0) (13.44%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 839 peaks in the peak location table
839 peak locations are merged to 255 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 255 unindexed peaks to the CrysAlis peak table (255 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:27 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
218 peak differences on 110 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743807!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 218(sub) 218(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08633
Make unit cell: 0.04089
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743807!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 255(sub) 255(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07692
Make unit cell: 0.04577
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 35 obs out of 255 (total:255,skipped:0) (13.73%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:28 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:28 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 844 peaks in the peak location table
844 peak locations are merged to 258 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 258 unindexed peaks to the CrysAlis peak table (258 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:28 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
220 peak differences on 112 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743808!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08968
Make unit cell: 0.05174
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743808!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.09131
Make unit cell: 0.04618
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 37 obs out of 258 (total:258,skipped:0) (14.34%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:29 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:29 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 849 peaks in the peak location table
849 peak locations are merged to 260 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 260 unindexed peaks to the CrysAlis peak table (260 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:29 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
220 peak differences on 114 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743809!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 220(sub) 220(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.09181
Make unit cell: 0.03822
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743809!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 260(sub) 260(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.08154
Make unit cell: 0.04558
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 38 obs out of 260 (total:260,skipped:0) (14.62%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:29 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:30 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 855 peaks in the peak location table
855 peak locations are merged to 264 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 264 unindexed peaks to the CrysAlis peak table (264 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:30 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
224 peak differences on 115 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743810!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 224(sub) 224(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.09295
Make unit cell: 0.04230
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743810!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 264(sub) 264(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08265
Make unit cell: 0.04524
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 38 obs out of 264 (total:264,skipped:0) (14.39%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:30 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:30 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 861 peaks in the peak location table
861 peak locations are merged to 270 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 270 unindexed peaks to the CrysAlis peak table (270 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:30 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
230 peak differences on 117 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743810!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 230(sub) 230(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.09620
Make unit cell: 0.04693
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743810!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08674
Make unit cell: 0.04283
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 38 obs out of 270 (total:270,skipped:0) (14.07%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 870 peaks in the peak location table
870 peak locations are merged to 273 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 273 unindexed peaks to the CrysAlis peak table (273 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
232 peak differences on 119 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743811!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 232(sub) 232(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.11262
Make unit cell: 0.06057
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743811!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 273(sub) 273(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.08563
Make unit cell: 0.04687
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 38 obs out of 273 (total:273,skipped:0) (13.92%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 885 peaks in the peak location table
885 peak locations are merged to 280 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 280 unindexed peaks to the CrysAlis peak table (280 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:31 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
238 peak differences on 121 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743811!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 238(sub) 238(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09928
Make unit cell: 0.04729
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743811!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 280(sub) 280(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09366
Make unit cell: 0.04804
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 38 obs out of 280 (total:280,skipped:0) (13.57%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 898 peaks in the peak location table
898 peak locations are merged to 282 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 282 unindexed peaks to the CrysAlis peak table (282 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
239 peak differences on 123 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743812!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 239(sub) 239(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.10292
Make unit cell: 0.04141
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743812!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 282(sub) 282(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.10379
Make unit cell: 0.05876
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 39 obs out of 282 (total:282,skipped:0) (13.83%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 933 peaks in the peak location table
933 peak locations are merged to 296 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 296 unindexed peaks to the CrysAlis peak table (296 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:32 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
252 peak differences on 127 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743812!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 252(sub) 252(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.10711
Make unit cell: 0.04478
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743812!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 296(sub) 296(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.09654
Make unit cell: 0.04741
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 41 obs out of 296 (total:296,skipped:0) (13.85%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:33 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:33 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 951 peaks in the peak location table
951 peak locations are merged to 297 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 297 unindexed peaks to the CrysAlis peak table (297 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:33 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
253 peak differences on 129 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743813!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 253(sub) 253(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.11262
Make unit cell: 0.05561
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743813!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 297(sub) 297(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.09736
Make unit cell: 0.06528
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 41 obs out of 297 (total:297,skipped:0) (13.80%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 972 peaks in the peak location table
972 peak locations are merged to 303 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 303 unindexed peaks to the CrysAlis peak table (303 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
258 peak differences on 132 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743814!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 258(sub) 258(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.10943
Make unit cell: 0.05428
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743814!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 303(sub) 303(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.10141
Make unit cell: 0.04144
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 43 obs out of 303 (total:303,skipped:0) (14.19%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 979 peaks in the peak location table
979 peak locations are merged to 308 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 308 unindexed peaks to the CrysAlis peak table (308 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:34 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
263 peak differences on 133 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743814!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 263(sub) 263(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.11525
Make unit cell: 0.04605
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743814!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 308(sub) 308(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00009
Make T-vectors: 0.10452
Make unit cell: 0.04402
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 43 obs out of 308 (total:308,skipped:0) (13.96%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:35 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:35 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 1000 peaks in the peak location table
1000 peak locations are merged to 315 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 315 unindexed peaks to the CrysAlis peak table (315 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:35 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
270 peak differences on 135 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743815!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 270(sub) 270(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.11587
Make unit cell: 0.04659
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743815!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 315(sub) 315(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.11497
Make unit cell: 0.07526
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 44 obs out of 315 (total:315,skipped:0) (13.97%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:35 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: 1017 peaks in the peak location table
1017 peak locations are merged to 318 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 318 unindexed peaks to the CrysAlis peak table (318 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:35 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
272 peak differences on 137 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743815!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.12429
Make unit cell: 0.06164
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743816!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00007
Make T-vectors: 0.10926
Make unit cell: 0.05308
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 44 obs out of 318 (total:318,skipped:0) (13.84%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: MODEL REFINEMENT (Thu Sep 19 13:03:36 2024)
*******************************************************************************************************


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:36 2024)
*******************************************************************************************************

AUTO INFO: Dirax started...
272 peak differences on 137 frames put into peak table
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743816!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 272(sub) 272(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00006
Make T-vectors: 0.12256
Make unit cell: 0.04823
AUTO INFO: Delta ttt unsuccessful
AUTO INFO: delta ttt finished with error(s)...
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1726743816!
UM TTT INFO: Expected lattice sizes: min=2.000 max=120.000
UM TTT INFO: The intermediate cell results can be recalled from the UM TTTRINGBUFFER. All best cell results carry a consecutive solution number. The ring buffer is limited to 140 entries
UM TTT INFO: subsetting of data not required (ioksetupdirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 318(sub) 318(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00008
Make T-vectors: 0.10594
Make unit cell: 0.06896
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
UB fit with 44 obs out of 318 (total:318,skipped:0) (13.84%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: MODEL REFINEMENT (Thu Sep 19 13:03:36 2024)
*******************************************************************************************************


*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:03:36 2024)
*******************************************************************************************************

Bravais lattice type: P
1017 peak locations are merged to 318 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 318 unindexed peaks to the CrysAlis peak table (318 with profile info)

-------------------EXPERIMENT TAB SUMMARY-------------------
CELL

  ?

	13.836 %(44/318)

  cell not found
------------------------------------------------------------
AUTO INFO: Finished at Thu Sep 19 13:03:36 2024
DC PROFFIT INFO: Meta algorithm started
DELETE INFO: Deleting rpi files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.rpi)
DELETE INFO: Deleting tab files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.tab)
DELETE INFO: Deleting tabbin files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.tabbin)
DELETE INFO: Deleting rrpprof files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.rrpprof)
DELETE INFO: Deleting rrpprofinfo files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.rrpprofinfo)
DELETE INFO: Deleting bbm files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
DELETE INFO: Deleting pcorr files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.pcorr)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.dat)
DELETE INFO: Deleting ppc2 files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.ppc2)
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:03:37 2024)
ID: 16048; threads 61; handles 1563; mem 756768.00 (6118536.00)kB; time: 3d 1h 7m 41s

MEMORY INFO: Memory PF:12543.0, Ph:7418.0, V:5975.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:739.0,peak PF: 966.5, WS: 354.2, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1015),V:178.2 (#35)
MEMORY INFO: Tracker: RED 181.0 (#16)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12545.0, Ph:7424.0, V:5976.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:740.8,peak PF: 966.5, WS: 356.0, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1015),V:180.0 (#36)
MEMORY INFO: Tracker: RED 182.8 (#17)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:03:37 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
No reduced unit cell present!
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:03:37 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=169, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=169, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=169, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=169, width=0.250
  - Required frames: #=50, start=151, end=200,
  - Adjusted required frames (end): #=50, start=120, end=169,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_120.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_120.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_120.rpb
PROFFITPEAK info: 858 peaks in the peak location table
UB fit with 35 obs out of 294 (total:294,skipped:0) (11.90%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 294
#indexed refl 36, indexation with best UB: 12.2449%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -0.000 -0.500 -0.000

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 36 obs out of 294 (total:294,skipped:0) (12.24%)
   UB - matrix:
       0.024999    0.000000    0.000218   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
      -0.000218    0.000000    0.024999   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 13 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 12 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 11 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 9 pars)...
UB fit with 36 obs out of 294 (total:294,skipped:0) (12.24%)
   UB - matrix:
       0.024999    0.000000    0.000218   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
      -0.000218    0.000000    0.024999   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 13 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 12 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 11 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 32 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 9 pars)...
294 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - -20.750,169 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 0 refl (0 shortened)
HKL list info: 0 refl (0 shortened)
HKL list warning: list with no reflections!
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:03:39 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:03:46 2024)
ID: 16048; threads 61; handles 1564; mem 600036.00 (5962032.00)kB; time: 3d 1h 7m 50s

MEMORY INFO: Memory PF:12373.0, Ph:7244.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:588.3,peak PF: 966.5, WS: 204.4, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.3 (#30)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:03:46 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:46 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:03:46 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:03:46 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:46 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:03:46 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:03:46 2024)
ID: 16048; threads 61; handles 1563; mem 601716.00 (5962032.00)kB; time: 3d 1h 7m 51s

MEMORY INFO: Memory PF:12377.0, Ph:7249.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:587.6,peak PF: 966.5, WS: 203.2, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.3 (#30)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12378.0, Ph:7251.0, V:5824.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:589.4,peak PF: 966.5, WS: 205.0, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.1 (#31)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:03:46 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
 3     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         cP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:03:46 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=201, end=250,
  - Adjusted required frames (end): #=50, start=156, end=205,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_156.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_156.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_156.rpb
PROFFITPEAK info: 1111 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 47 obs out of 353 (total:353,skipped:0) (13.31%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 353
#indexed refl 49, indexation with best UB: 13.8810%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: 1.250 -2.000 -2.000

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 49 obs out of 353 (total:353,skipped:0) (13.88%)
   UB - matrix:
       0.024970   -0.000891    0.000853   (  0.000167    0.000026    0.000021 )
       0.000872    0.024978    0.000575   (  0.000146    0.000023    0.000018 )
      -0.000872   -0.000545    0.024979   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 13 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 12 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 11 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 9 pars)...
UB fit with 49 obs out of 353 (total:353,skipped:0) (13.88%)
   UB - matrix:
       0.024970   -0.000891    0.000853   (  0.000167    0.000026    0.000021 )
       0.000872    0.024978    0.000575   (  0.000146    0.000023    0.000018 )
      -0.000872   -0.000545    0.024979   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 13 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 12 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 11 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 10 pars)...
OTKP changes: 44 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 9 pars)...
353 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - -11.750,205 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 2 refl (0 shortened)
PROFFITFMHKL INFO: hkl list is updated with average model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=205, width=0.250
  - Required frames: #=50, start=201, end=250,
  - Adjusted required frames (end): #=50, start=156, end=205,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_156.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_156.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_156.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:03:48 2024
DC PROFFIT INFO: Proffit peak failed!
DC FULLAUTOANALYSECONCURRENT

Process information (Thu Sep 19 13:03:59 2024)
ID: 16048; threads 61; handles 1563; mem 600940.00 (5962280.00)kB; time: 3d 1h 8m 3s

MEMORY INFO: Memory PF:12383.0, Ph:7253.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:586.9,peak PF: 966.5, WS: 202.9, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 

Process information (Thu Sep 19 13:03:59 2024)
ID: 16048; threads 61; handles 1564; mem 622952.00 (5960816.00)kB; time: 3d 1h 8m 4s

MEMORY INFO: Memory PF:12403.0, Ph:7282.0, V:5821.0;  
MEMORY INFO: Process info - Handles: 1563, Memory: PF:608.4,peak PF: 966.5, WS: 223.8, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 23.2 (#12)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:03:59 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:03:59 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:03:59 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:03:59 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:59 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 

*******************************************************************************************************
		Auto analyse stage: MODEL REFINEMENT (Thu Sep 19 13:03:59 2024)
*******************************************************************************************************


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:03:59 2024)
*******************************************************************************************************


*******************************************************************************************************
		Auto analyse stage: MODEL REFINEMENT (Thu Sep 19 13:03:59 2024)
*******************************************************************************************************

5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:03:59 2024
DC PROFFIT INFO: Meta algorithm started
DELETE INFO: Deleting rpi files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.rpi)
DELETE INFO: Deleting tab files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.tab)
DELETE INFO: Deleting tabbin files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_proffitpea*.tabbin)
DELETE INFO: Deleting rrpprof files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.rrpprof)
DELETE INFO: Deleting rrpprofinfo files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.rrpprofinfo)
DELETE INFO: Deleting bbm files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
DELETE INFO: Deleting pcorr files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.pcorr)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.dat)
DELETE INFO: Deleting ppc2 files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.ppc2)
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:04:00 2024)
ID: 16048; threads 61; handles 1564; mem 617716.00 (5962280.00)kB; time: 3d 1h 8m 4s

MEMORY INFO: Memory PF:12404.0, Ph:7287.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1563, Memory: PF:603.2,peak PF: 966.5, WS: 219.0, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12406.0, Ph:7289.0, V:5824.0;  
MEMORY INFO: Process info - Handles: 1563, Memory: PF:605.0,peak PF: 966.5, WS: 220.8, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:04:00 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:04:00 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=251, end=300,
  - Adjusted required frames (end): #=50, start=212, end=261,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_212.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_212.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_212.rpb
PROFFITPEAK info: 1392 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 57 obs out of 424 (total:424,skipped:0) (13.44%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 424
#indexed refl 59, indexation with best UB: 13.9151%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 59 obs out of 424 (total:424,skipped:0) (13.92%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 59 obs out of 424 (total:424,skipped:0) (13.92%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 54 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
424 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 2.250,261 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 2 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 59 obs out of 424 (total:424,skipped:0) (13.92%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 59 obs out of 424 (total:424,skipped:0) (13.92%)
PROFFITFMHKL INFO: hkl list is updated with per-frame model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=261, width=0.250
  - Required frames: #=50, start=251, end=300,
  - Adjusted required frames (end): #=50, start=212, end=261,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_212.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_212.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_212.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:04:04 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:04:11 2024)
ID: 16048; threads 61; handles 1563; mem 619380.00 (5962280.00)kB; time: 3d 1h 8m 16s

MEMORY INFO: Memory PF:12419.0, Ph:7288.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:604.9,peak PF: 966.5, WS: 220.2, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:04:11 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:04:11 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:04:11 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:04:11 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:04:11 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:04:11 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:04:12 2024)
ID: 16048; threads 61; handles 1563; mem 619380.00 (5962280.00)kB; time: 3d 1h 8m 16s

MEMORY INFO: Memory PF:12420.0, Ph:7289.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:604.9,peak PF: 966.5, WS: 220.3, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12422.0, Ph:7289.0, V:5824.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:606.7,peak PF: 966.5, WS: 222.1, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:04:12 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:04:12 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=301, end=350,
  - Adjusted required frames (end): #=50, start=258, end=307,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_258.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_258.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_258.rpb
PROFFITPEAK info: 1503 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 62 obs out of 456 (total:456,skipped:0) (13.60%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 456
#indexed refl 64, indexation with best UB: 14.0351%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 64 obs out of 456 (total:456,skipped:0) (14.04%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 64 obs out of 456 (total:456,skipped:0) (14.04%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 59 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
456 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 13.750,307 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 2 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 64 obs out of 456 (total:456,skipped:0) (14.04%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 64 obs out of 456 (total:456,skipped:0) (14.04%)
PROFFITFMHKL INFO: hkl list is updated with per-frame model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=307, width=0.250
  - Required frames: #=50, start=301, end=350,
  - Adjusted required frames (end): #=50, start=258, end=307,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_258.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_258.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_258.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:04:16 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:04:24 2024)
ID: 16048; threads 61; handles 1563; mem 601368.00 (5962280.00)kB; time: 3d 1h 8m 28s

MEMORY INFO: Memory PF:12372.0, Ph:7242.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1563, Memory: PF:587.3,peak PF: 966.5, WS: 201.9, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:04:24 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:04:24 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:04:24 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:04:24 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:04:24 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:04:24 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:04:24 2024)
ID: 16048; threads 61; handles 1563; mem 602448.00 (5962280.00)kB; time: 3d 1h 8m 28s

MEMORY INFO: Memory PF:12371.0, Ph:7244.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:588.3,peak PF: 966.5, WS: 203.3, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12376.0, Ph:7245.0, V:5827.0;  
MEMORY INFO: Process info - Handles: 1565, Memory: PF:594.6,peak PF: 966.5, WS: 208.1, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:04:24 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:04:24 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=351, end=400,
  - Adjusted required frames (end): #=50, start=307, end=356,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_307.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_307.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_307.rpb
PROFFITPEAK info: 1720 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 71 obs out of 500 (total:500,skipped:0) (14.20%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 500
#indexed refl 73, indexation with best UB: 14.6000%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 73 obs out of 500 (total:500,skipped:0) (14.60%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 73 obs out of 500 (total:500,skipped:0) (14.60%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 67 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
500 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 26.000,356 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 2 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 73 obs out of 500 (total:500,skipped:0) (14.60%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 73 obs out of 500 (total:500,skipped:0) (14.60%)
PROFFITFMHKL INFO: hkl list is updated with per-frame model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=356, width=0.250
  - Required frames: #=50, start=351, end=400,
  - Adjusted required frames (end): #=50, start=307, end=356,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_307.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_307.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_307.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:04:29 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:04:36 2024)
ID: 16048; threads 61; handles 1563; mem 605584.00 (5962280.00)kB; time: 3d 1h 8m 40s

MEMORY INFO: Memory PF:12413.0, Ph:7269.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:591.4,peak PF: 966.5, WS: 206.9, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:04:36 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:04:36 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:04:36 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:04:36 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:04:36 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:04:36 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:04:36 2024)
ID: 16048; threads 61; handles 1563; mem 604548.00 (5962280.00)kB; time: 3d 1h 8m 40s

MEMORY INFO: Memory PF:12382.0, Ph:7252.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:590.4,peak PF: 966.5, WS: 206.4, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12384.0, Ph:7253.0, V:5824.0;  
MEMORY INFO: Process info - Handles: 1562, Memory: PF:592.2,peak PF: 966.5, WS: 208.2, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:04:36 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:04:36 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=401, end=450,
  - Adjusted required frames (end): #=50, start=356, end=405,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_356.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_356.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_356.rpb
PROFFITPEAK info: 1968 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 93 obs out of 567 (total:567,skipped:0) (16.40%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 567
#indexed refl 95, indexation with best UB: 16.7549%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 95 obs out of 567 (total:567,skipped:0) (16.75%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 95 obs out of 567 (total:567,skipped:0) (16.75%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 85 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
567 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 38.250,405 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 3 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 95 obs out of 567 (total:567,skipped:0) (16.75%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 95 obs out of 567 (total:567,skipped:0) (16.75%)
PROFFITFMHKL INFO: hkl list is updated with per-frame model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=405, width=0.250
  - Required frames: #=50, start=401, end=450,
  - Adjusted required frames (end): #=50, start=356, end=405,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_356.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_356.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_356.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:04:42 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:04:48 2024)
ID: 16048; threads 60; handles 1561; mem 605664.00 (5954088.00)kB; time: 3d 1h 8m 53s

MEMORY INFO: Memory PF:12394.0, Ph:7267.0, V:5814.0;  
MEMORY INFO: Process info - Handles: 1560, Memory: PF:591.5,peak PF: 966.5, WS: 206.7, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:04:48 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:04:48 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:04:48 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:04:49 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:04:49 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:04:49 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:04:49 2024)
ID: 16048; threads 60; handles 1561; mem 605664.00 (5954088.00)kB; time: 3d 1h 8m 53s

MEMORY INFO: Memory PF:12394.0, Ph:7257.0, V:5814.0;  
MEMORY INFO: Process info - Handles: 1560, Memory: PF:591.5,peak PF: 966.5, WS: 206.7, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12396.0, Ph:7259.0, V:5816.0;  
MEMORY INFO: Process info - Handles: 1560, Memory: PF:593.3,peak PF: 966.5, WS: 208.5, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:04:49 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:04:49 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=401, end=450,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_401.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=451, end=500,
  - Adjusted required frames (end): #=50, start=406, end=455,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_406.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_406.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_406.rpb
PROFFITPEAK info: 2140 peaks in the peak location table
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 98 obs out of 612 (total:612,skipped:0) (16.01%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
RUN 1, #refl in peak table: 612
#indexed refl 100, indexation with best UB: 16.3399%

Lattice: 1.0040 1.0040 1.0040 90.000 90.000 90.000 1.012
Rotation: -1.000 -2.000 -1.750

********************** SEARCHING FOR BEST UB ENDED ***********************
UB fit with 100 obs out of 612 (total:612,skipped:0) (16.34%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
UB fit with 100 obs out of 612 (total:612,skipped:0) (16.34%)
   UB - matrix:
       0.024973   -0.000748    0.000885   (  0.000167    0.000026    0.000021 )
       0.000763    0.024985   -0.000409   (  0.000146    0.000023    0.000018 )
      -0.000872    0.000436    0.024981   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 13 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 12 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 11 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 10 pars)...
OTKP changes: 90 1 1 1 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 9 pars)...
612 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakhunt_1"
Run 1 Omega scan: (-63.000 - 50.750,455 frames, 0.250 sec, 0.250 deg) at th=0.000, ka=0.000,ph=0.000 (rot geo dd=647.000)
HKL list info: 3 refl (0 shortened)
MODEL LIST INFO: Indexation prior to per-frame refinement
UB fit with 100 obs out of 612 (total:612,skipped:0) (16.34%)
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 1 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
Not enough observations available (check whether you can reduce the number of refined pars; currently 0 used reflections and 5 pars)...
MODEL LIST INFO: Indexation after per-frame refinement
UB fit with 100 obs out of 612 (total:612,skipped:0) (16.34%)
PROFFITFMHKL INFO: hkl list is updated with per-frame model information!
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
CCD reject setup:
Corner(s): 
Polygon 1: (-1,-1), (-1,9), (774,9), (774,-1), 
Polygon 2: (-1,374), (-1,384), (774,384), (774,374), 
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=401, end=450,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_401.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=455, width=0.250
  - Required frames: #=50, start=451, end=500,
  - Adjusted required frames (end): #=50, start=406, end=455,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_406.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_406.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_406.rpb
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! ROTATION PATTERN SIMULATION WARNING: Unexpected end of reflection list encountered
! Zero peaks collected in run 1 due to bad initial model or too weak data
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:04:56 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:05:01 2024)
ID: 16048; threads 60; handles 1560; mem 604624.00 (5960232.00)kB; time: 3d 1h 9m 5s

MEMORY INFO: Memory PF:12378.0, Ph:7253.0, V:5820.0;  
MEMORY INFO: Process info - Handles: 1559, Memory: PF:590.5,peak PF: 966.5, WS: 206.2, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:05:01 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300.run
AUTO INFO: Clearing peak tables (hunting=10 peaks,xyz=10 peaks)
MACHINE INFORMATION 
- GONIOMETER XtaLAB Synergy-ED 
   - ALPHA (DEG)   50.00000 BETA (DEG)    0.00000
   - WAVELENGTH USERSPECIFIED (ANG): A1    0.02510 A2    0.02510  B1    0.02510
   - POLARISATION FACTOR    0.50000
   - X-RAY BEAM ORIENTATION (DEG): X2    0.00000 X3    0.00000
   - BEAM PATH ABSORPTIONCOEFFICIENTS (MM-1): AIR    0.00000 BE    0.00000
   - SOFTWARE ZEROCORRECTION (DEG): OMEGA 0.00000 THETA 0.00000 KAPPA 0.00000 PHI 0.00000
   - MACHINE OFFSETS (STEPS): OMEGA          0 THETA          0 KAPPA          0 PHI          0
   - FOR 3DED/MICROED APPLICATION PARALLAX CORRECTION TURNED OFF
   - SI THICKNESS (MM):    0.32000 
   - DETECTOR ROTATION (DEG): X1    3.90000 X2    0.00000 X3    0.00000
   - DETECTOR DISTANCE (MM):  647.00000
   - DETECTOR ZERO (PIX, 1X1 BINNING): X  387.50000 Y  192.50000
   - DETECTOR BINNING (PIX): X:   1 Y:   1 (XW: 775, YW: 385)
   - FLAT FIELD CORRECTION FILE: NONE 
   - GEOMETRIC CORRECTION FILE : NONE 
   - GEOMETRIC CORRECTION STATUS: ALLOCATED:0, USED:0, GRIDX:0, GRIDY:0
   - GEOMETRIC CORRECTION GRID LOADED: NONE
   - PIXEL DETECTOR, BUT NO PIXEL DETECTOR CORRECTIONS DUE TO MICROED APPLICATION! PIXEL SIZE (MM): 0.10000
PROGRAM VERSION
   - PROGRAM RED 44.70a 64-bit (release 10-09-2024)
   - (X)PAR FILE NAME exp_7300\exp_7300.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:05:01 2024)
*******************************************************************************************************

CCD reject setup (C:\Xcalibur\corrections\od_microED\HyPix_2005220618\MicroED_HyPix_2024-03-26_CG.ccd): valid corners=0 polygons=2
X-Stop=     15.00; Dia=      0.00; X off=      0.00; Y off=      0.00; Type: TOP
om=      0.00 th=      0.00 ka=      0.00 ph=      0.00
AUTO INFO: peak location table full (9,max:10)
AUTO INFO: 9 peaks in the peak location table
PEAK EXTRACT INFO: Started at Thu Sep 19 13:05:01 2024
DELETE INFO: Deleting tmp files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.*)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Run #1 started
PEAK EXTRACT INFO: 0 skipped due to low intensity
PEAK EXTRACT INFO: 0 skipped due to odd profile size
PEAK EXTRACT INFO: Mosaicity estimation - run #1
 2D mosaicity: e1=0.04deg e2=0.04deg
PEAK EXTRACT INFO: 5 peaks stored in the peak table
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks saved into the D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1.tabbin file
Intensity statistics of observable peaks
Resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Cumulative resolution histogram (observable peaks only)
     N     d max   d min I/sig(obs) Max_pixel Bg_level
       5   3.931   1.423     7.8       32.2     2.1
All:
       5   3.931   1.423     7.8       32.2     2.1
Realloc peak table for 105 peaks
Realloc peak location table for 105 peaks
Reading tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract_1"
PEAK EXTRACT INFO: 5 peaks in the peak location table
DELETE INFO: Deleting tmp tabbin files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.tabbin)
DELETE INFO: Deleting tmp plst files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.plst)
DELETE INFO: Deleting tmp pmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_peakextract*.pmap)
DELETE INFO: Deleting tmp bitbgmap files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300*.bbm)
PEAK EXTRACT INFO: Finished at Thu Sep 19 13:05:01 2024

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:05:01 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
5 peak locations are merged to 5 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 5 unindexed peaks to the CrysAlis peak table (5 with profile info)

AUTO INFO: Finished at Thu Sep 19 13:05:01 2024
DC PROFFIT INFO: Meta algorithm block started

Process information (Thu Sep 19 13:05:01 2024)
ID: 16048; threads 60; handles 1560; mem 605660.00 (5960232.00)kB; time: 3d 1h 9m 6s

MEMORY INFO: Memory PF:12379.0, Ph:7256.0, V:5820.0;  
MEMORY INFO: Process info - Handles: 1559, Memory: PF:591.5,peak PF: 966.5, WS: 207.0, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
MEMORY INFO: Memory PF:12381.0, Ph:7257.0, V:5822.0;  
MEMORY INFO: Process info - Handles: 1559, Memory: PF:593.3,peak PF: 966.5, WS: 208.8, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:0.6 (#1018),V:27.4 (#33)
MEMORY INFO: Tracker: RED 30.2 (#14)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
DC PROFFIT - Profile-fitting data reduction algorithm (44.70a 64-bit (release 10-09-2024),compiled Sep 10 2024,13:29:26)
DC PROFFIT - Started at Thu Sep 19 13:05:02 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Output file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto
Data reduction with automatic settings
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
      1.00400 (    0.00673 )     1.00400 (    0.00091 )     1.00400 (    0.00097 )
     90.00000 (    0.07972 )    90.00000 (    0.43916 )    90.00000 (    0.34077 )
  V =         1.01
Selected cell (from UM rr/UM ttt/UM f):
31     1.0040     1.0040     1.0040    90.0000    90.0000    90.0000         aP
Cross checking gral lattice...
Lattice type P selected
AC6 unit cell: 1.00400 1.00400 1.00400 90.00000 90.00000 90.00000
Background parameters (old style):       50       50 SHORT follow:0
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bg.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion1.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_ppcriterion2.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvsframe.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_predictaccuracyvstheta.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profiles.dat)
DELETE INFO: Deleting dat files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_profilecorr*.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_latticeperrun.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_refinedsubmodels.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_lattice.dat)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_crystal.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_coverage.ini_report)
DELETE INFO: Deleting ini file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\expinfo\exp_7300_auto_datared.ini_report)
DELETE INFO: Deleting rrprof file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rrpprof)
DELETE INFO: Deleting skipregion txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_skipregion.txt)
DELETE INFO: Deleting overflow txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_overflow.txt)
DELETE INFO: Deleting edgeskip txt files... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_edgeskip.txt)
DELETE INFO: Deleting cif file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif)
DELETE INFO: Deleting cif_od file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_od)
DELETE INFO: Deleting _dyn.cif_cap file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_cap)
DELETE INFO: Deleting cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.cif_pets)
DELETE INFO: Deleting _dyn.cif_pets file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto_dyn.cif_pets)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscale.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleintcorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscaleres.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_absscalerescorr.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_bfactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_afactor.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_cover.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_hklplot.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_resolutionstats.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_rint.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2bm.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_chi2am.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_stickabsorption.dat)
DELETE INFO: Deleting dat file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\plots_red\exp_7300_auto_incidence.dat)
DELETE INFO: Deleting grl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.grl)
DELETE INFO: Deleting ins file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.ins)
DELETE INFO: Deleting eqv file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.eqv)
DELETE INFO: Deleting hkl file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hkl)
DELETE INFO: Deleting hklgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.hklgral)
DELETE INFO: Deleting p4p file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4p)
DELETE INFO: Deleting p4pgral file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.p4pgral)
DELETE INFO: Deleting rint file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint)
DELETE INFO: Deleting rint_redun file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.rint_redun)
DELETE INFO: Deleting errmod file... (D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_auto.errmod)
Per-frame model refinement: ON
Instrument model dd at start: 647.00 mm
Polarization value used during processing 0.5000
Single frame average background scaling: OFF
Single wavelength only: ON 
Pixel HKL filter in PROFFITPEAK: ON
2-cycle 3D peak analysis: ON
General average background pars: Re=50, Fr=50
Smart background: ON (window = 1, saving frames = 0, visualize frames = 0)
Background computed as FLOAT type: ON
Use 3D profile fitting: ON
Adjust masks according to prediction uncertainty (for high angle data): OFF
Follow profile size changes with incidence angle: ON
Reject reflections with bad profiles: OFF
Consider reflection spot drift along diffraction vector: OFF
Overflow threshold: 258122 
Overflow marker: -9999999 
User limits in use: max: 1000.0000 min: 0.8000  
Not used frames (Frames selector): 0 
Use JETSHADOW for masking shadowed areas: OFF

Camera read noise override for background estimation in use: RMS=  1.0
Space group determination with Gral
AutoChem attempted
Laue symmetry par settings: 1 (Friedel:1)
  0 Extinction conditions:

PROFFITPEAK - Precise peak table update based on 3D profile analysis (2005-2024)
PROFFITPEAK - Started at Thu Sep 19 13:05:02 2024
Experiment file name: D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300
Maximum reflection width (in deg): 2.00
I/sigma threshold: 7.00

   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
Lattice type P used

*** 3D peak analysis started - run 1 ***
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
Realloc peak hunting table for 10000 peaks
? PROFFITPEAK interrupt: Peak location table full (104,max:105)
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=1, end=50,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_1.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_1.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=51, end=100,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_51.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_51.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=101, end=150,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_101.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_101.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=151, end=200,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_151.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_151.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=201, end=250,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_201.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_201.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=251, end=300,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_251.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_251.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=301, end=350,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_301.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_301.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=351, end=400,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_351.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_351.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=401, end=450,
BACKGROUND INFO: Using background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.img
BACKGROUND INFO: Using background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_401.img
BACKGROUND INFO: Using background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_401.rpb
BACKGROUND INFO: Ranges
  - Red run list: start=1, end=500, width=0.250
  - Required frames: #=50, start=451, end=500,
BACKGROUND INFO: Creating background file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_451.img
BACKGROUND INFO: Creating background sigma file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_backsig_1_451.img
BACKGROUND INFO: Creating background info file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_back_1_451.rpb
PRO INFO: User interrupt from keyboard - by thread (Thu Sep 19 13:05:03 2024)
? User interrupt  (ipeakhuntonframesproffitpeak)
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
! PH PROFILE WARNING: Premature end because CrysAlis peaktable full
UB fit with 98 obs out of 609 (total:609,skipped:0) (16.09%)
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000167    0.000026    0.000021 )
       0.000000    0.025000    0.000000   (  0.000146    0.000023    0.000018 )
       0.000000    0.000000    0.025000   (  0.000190    0.000029    0.000024 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000008    0.000004    0.000005 )
       0.000000    0.000625    0.000000   (  0.000004    0.000001    0.000001 )
       0.000000    0.000000    0.000625   (  0.000005    0.000001    0.000001 )
    unit cell:
       1.004(7)  1.0040(9)  1.0040(10)       
      90.00(8)  90.0(4)    90.0(3)     
      V = 1.012(7) 
********************** SEARCHING FOR BEST UB STARTED *********************
UM IRUN INFO: Rotation interval: [-2.00,2.00] (deg), number of steps 17 (step: 0.250), indexing rejection criterion: 0.1250
UM IRUN INFO: There are 1 'run' piece flips in the peak table (min=1,max=1)
? UMIRUN ERROR: user interrupt in iSearchFollowUBsRunUMIRUN
? Can't open file D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_1.inc (dwcountprofileswithincidenceangleproffitpeak)
? D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\tmp\exp_7300_predictaccuracyvstheta_1.ppc2 cannot be opened, error in (iloadcriterion2proffitpeak) in proffitpeak.cpp
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_peakhunt"
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-5NH295CH3\exp_7300\exp_7300_proffitpeak"
PROFFITPEAK - Finished at Thu Sep 19 13:05:03 2024
DC PROFFIT INFO: Proffit peak failed!

Process information (Thu Sep 19 13:05:04 2024)
ID: 16048; threads 58; handles 1548; mem 601900.00 (5958184.00)kB; time: 3d 1h 9m 9s

MEMORY INFO: Memory PF:12377.0, Ph:7252.0, V:5818.0;  
MEMORY INFO: Process info - Handles: 1547, Memory: PF:587.8,peak PF: 966.5, WS: 203.6, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:1.1 (#1018),V:25.6 (#32)
MEMORY INFO: Tracker: RED 28.4 (#13)
MEMORY INFO: Image pool: RED 6.8/100.0 (#6, page size: 4096)
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
MEMORY INFO: tracker memory not in use!
 
