
Process information (Thu Sep 19 13:59:41 2024)
ID: 16048; threads 61; handles 1557; mem 599392.00 (5970264.00)kB; time: 3d 2h 3m 45s

MEMORY INFO: Memory PF:12345.0, Ph:7183.0, V:5830.0;  
MEMORY INFO: Process info - Handles: 1556, Memory: PF:585.5,peak PF: 966.5, WS: 207.9, peak WS: 533.1
MEMORY INFO: RED G:4.9,H:1.2 (#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!
 
CRYSALIS auto analyse procedure 2005-2021 (version 1.0.2)

AUTO INFO: Started at Thu Sep 19 13:59:41 2024
AUTO INFO:  Experiment: D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302.run
AUTO INFO: Clearing peak tables (hunting=10000 peaks,xyz=944 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_7302\exp_7302.par

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:43 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:43 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 13:59:44 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:44 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 13:59:44 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:44 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 13:59:44 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:44 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 13:59:45 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:45 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 13:59:45 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: 0 peaks in the peak location table
0 peak locations are merged to 0 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 0 unindexed peaks to the CrysAlis peak table (0 with profile info)

? PH PROFILE ERROR: No data to be searched (ipreparesearchpeaklocationtablept)

*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:45 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 13:59:46 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: 4 peaks in the peak location table
4 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 13:59:46 2024)
*******************************************************************************************************

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

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:46 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: 9 peaks in the peak location table
9 peak locations are merged to 3 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 3 unindexed peaks to the CrysAlis peak table (3 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:46 2024)
*******************************************************************************************************

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

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:47 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: 19 peaks in the peak location table
19 peak locations are merged to 7 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 7 unindexed peaks to the CrysAlis peak table (7 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:47 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 13:59:47 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: 23 peaks in the peak location table
23 peak locations are merged to 8 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 8 unindexed peaks to the CrysAlis peak table (8 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:47 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 13:59:47 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: 28 peaks in the peak location table
28 peak locations are merged to 10 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 10 unindexed peaks to the CrysAlis peak table (10 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:47 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 13:59:48 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: 37 peaks in the peak location table
37 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 13:59:48 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 13:59:48 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: 40 peaks in the peak location table
40 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 13:59:48 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 13:59:48 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: 45 peaks in the peak location table
45 peak locations are merged to 15 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 15 unindexed peaks to the CrysAlis peak table (15 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:48 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 13:59:49 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: 54 peaks in the peak location table
54 peak locations are merged to 18 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 18 unindexed peaks to the CrysAlis peak table (18 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:49 2024)
*******************************************************************************************************

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

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:49 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: 63 peaks in the peak location table
63 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 13:59:49 2024)
*******************************************************************************************************

 
Instrument model: dd: 647.00, x0: 387.50, y0: 192.50, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
AUTO INFO: Dirax started...
30 peak differences on 11 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 1726747189!
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:   1 212(sub) 24(all), aP(31, 0)    9.88   29.86   71.54  81.01  86.35  85.41 pr:  20740.22, r:   20740.22
UM TTTSOLUTION  2:   2 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:   3 163(sub) 14(all), aP(31, 0)   20.17   25.20   25.35  82.00  81.03  66.72 pr:  11647.54, r:   11647.54
Peak table: 500(sub) 30(all)
Best cell:   212 indexed, Niggli aP(31, 0):     9.88    29.86    71.54    81.01    86.35    85.41 prim:  20740.22, red:   20740.22
UM TTTSOLUTION  1:   4 212(sub) 24(all), aP(31, 0)    9.88   29.86   71.54  81.01  86.35  85.41 pr:  20740.22, r:   20740.22
UM TTTSOLUTION  2:   5 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:   6 163(sub) 14(all), aP(31, 0)   20.17   25.20   25.35  82.00  81.03  66.72 pr:  11647.54, r:   11647.54
Peak table: 500(sub) 30(all)
Best cell:   212 indexed, Niggli aP(31, 0):     9.88    29.86    71.54    81.01    86.35    85.41 prim:  20740.22, red:   20740.22
UM TTTSOLUTION  1:   7 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:   8 182(sub) 18(all), aP(44, 0)   12.05   28.55   71.22  99.51  91.87  95.31 pr:  24030.08, r:   24030.08
UM TTTSOLUTION  3:   9 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  4:  10 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  5:  11 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  12 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  13 182(sub) 18(all), aP(44, 0)   12.05   28.55   71.22  99.51  91.87  95.31 pr:  24030.08, r:   24030.08
UM TTTSOLUTION  3:  14 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  4:  15 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  5:  16 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  17 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  18 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  19 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  20 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  5:  21 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  22 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  23 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  24 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  25 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  26 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  27 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
UM TTTSOLUTION  7:  28 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  29 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  30 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  31 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  32 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  33 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  34 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
UM TTTSOLUTION  7:  35 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  36 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  37 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  38 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  39 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  40 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  41 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
UM TTTSOLUTION  7:  42 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  43 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  44 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  45 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  46 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  47 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  48 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
UM TTTSOLUTION  7:  49 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  50 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  51 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  52 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  53 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  54 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  55 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
UM TTTSOLUTION  7:  56 180(sub) 10(all), aP(31, 0)   24.82   29.86   72.85  82.53  82.60  78.12 pr:  52093.88, r:   52093.88
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  57 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  58 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  59 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  60 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  61 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  62 181(sub) 10(all), mC(39, 2)   53.64   27.11   69.14  89.32 101.26  89.66 pr:  49294.80, r:   98589.60
UM TTTSOLUTION  7:  63 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
UM TTTSOLUTION  1:  64 244(sub) 24(all), aP(31, 0)   10.05   29.88   71.48  81.17  87.04  84.89 pr:  21117.16, r:   21117.16
UM TTTSOLUTION  2:  65 228(sub) 18(all), aP(44, 0)   28.36   29.91   38.58  97.65 109.59 106.30 pr:  28639.36, r:   28639.36
UM TTTSOLUTION  3:  66 220(sub) 16(all), aP(44, 0)   25.53   29.91   36.08 113.19  94.22 105.25 pr:  23938.26, r:   23938.26
UM TTTSOLUTION  4:  67 215(sub) 14(all), aP(31, 0)   20.74   29.90   70.40  81.39  88.69  84.48 pr:  42950.94, r:   42950.94
UM TTTSOLUTION  5:  68 192(sub) 12(all), aP(31, 0)   22.98   23.60   68.91  87.04  86.21  67.93 pr:  34537.82, r:   34537.82
UM TTTSOLUTION  6:  69 181(sub) 10(all), mC(39, 2)   53.64   27.11   69.14  89.32 101.26  89.66 pr:  49294.80, r:   98589.60
UM TTTSOLUTION  7:  70 187(sub) 10(all), aP(44, 0)   12.57   20.26   74.11  97.80  91.94  98.46 pr:  18464.36, r:   18464.36
Peak table: 500(sub) 30(all)
Best cell:   244 indexed, Niggli aP(31, 0):    10.05    29.88    71.48    81.17    87.04    84.89 prim:  21117.16, red:   21117.16
Make subset: 0.00034
Make T-vectors: 0.02988
Make unit cell: 0.19487
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 24 obs out of 30 (total:30,skipped:0) (80.00%)
   UB - matrix:
       0.001902   -0.000499    0.000154   (  0.000089    0.000063    0.000020 )
       0.000740   -0.000236   -0.000314   (  0.000087    0.000062    0.000019 )
       0.001459    0.000650   -0.000065   (  0.000038    0.000027    0.000008 )
   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:
      12.2(7) 30(2) 70(5)       
      78(8)   62(9) 82(5) 
      V = 22194(2000) 
UB fit with 24 obs out of 30 (total:30,skipped:0) (80.00%)
   UB - matrix:
       0.001781   -0.000472    0.000038   (  0.000060    0.000013    0.000054 )
       0.000687   -0.000224   -0.000364   (  0.000026    0.000006    0.000024 )
       0.001336    0.000678   -0.000182   (  0.000063    0.000014    0.000057 )
   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:
      12.2(7) 30(2) 70(5)       
      78(8)   62(9) 82(5) 
      V = 22194(2000) 
UB fit with 24 obs out of 30 (total:30,skipped:0) (80.00%)
   UB - matrix:
       0.001781   -0.000472    0.000038   (  0.000060    0.000013    0.000054 )
       0.000687   -0.000224   -0.000364   (  0.000026    0.000006    0.000024 )
       0.001336    0.000678   -0.000182   (  0.000063    0.000014    0.000057 )
   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:
      12.2(7) 30(2) 70(5)       
      78(8)   62(9) 82(5) 
      V = 22194(2000) 
Primitive unit cell refinement
UB fit with 24 obs out of 30 (total:30,skipped:0) (80.00%)
   UB - matrix:
       0.001781   -0.000472    0.000038   (  0.000060    0.000013    0.000054 )
       0.000687   -0.000224   -0.000364   (  0.000026    0.000006    0.000024 )
       0.001336    0.000678   -0.000182   (  0.000063    0.000014    0.000057 )
   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:
      12.2(7) 30(2) 70(5)       
      78(8)   62(9) 82(5) 
      V = 22194(2000) 
   UB - matrix:
      -0.001960   -0.000475   -0.000053   (  0.000104    0.000006    0.000025 )
       0.000382   -0.000225    0.000359   (  0.000035    0.000002    0.000009 )
      -0.000842    0.000677    0.000170   (  0.000067    0.000004    0.000016 )
   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 30 (total:30,skipped:0) (40.00%)
    unit cell:
      11.8(4) 30.0(9) 64(1)       
      99(3)   95(3)   98(3) 
      V = 21913(1100) 
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 1726747190!
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) 20(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
Peak table: 500(sub) 20(all)
Best cell:    79 indexed, Niggli aP(44, 0):    21.46    21.56    23.75   114.61    92.83   107.93 prim:   9303.37, red:    9303.37
UM TTTSOLUTION  1:   2 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  2:   3 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
Peak table: 500(sub) 20(all)
Best cell:    79 indexed, Niggli aP(44, 0):    21.46    21.56    23.75   114.61    92.83   107.93 prim:   9303.37, red:    9303.37
UM TTTSOLUTION  1:   4 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  2:   5 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  3:   6 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  4:   7 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  5:   8 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    79 indexed, Niggli aP(44, 0):    21.46    21.56    23.75   114.61    92.83   107.93 prim:   9303.37, red:    9303.37
UM TTTSOLUTION  1:   9 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  2:  10 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  3:  11 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  4:  12 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  5:  13 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    79 indexed, Niggli aP(44, 0):    21.46    21.56    23.75   114.61    92.83   107.93 prim:   9303.37, red:    9303.37
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  14 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  15 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  16 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  17 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  18 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  19 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTTSOLUTION  1:  20 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  21 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  22 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  23 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  24 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  25 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTTSOLUTION  1:  26 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  27 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  28 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  29 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  30 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  31 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTTSOLUTION  1:  32 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  33 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  34 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  35 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  36 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  37 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  38 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  39 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  40 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  41 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  42 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  43 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTTSOLUTION  1:  44 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  45 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  46 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  47 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  48 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  49 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  50 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  51 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  52 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  53 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  54 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  55 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
UM TTTSOLUTION  1:  56 80(sub) 8(all), aP(44, 0)   10.99   20.23   20.89  99.27  99.59  91.40 pr:   4513.01, r:    4513.01
UM TTTSOLUTION  2:  57 79(sub) 8(all), aP(44, 0)   21.46   21.56   23.75 114.61  92.83 107.93 pr:   9303.37, r:    9303.37
UM TTTSOLUTION  3:  58 75(sub) 7(all), aP(44, 0)   11.98   12.18   14.25 111.48  93.19 101.39 pr:   1877.63, r:    1877.63
UM TTTSOLUTION  4:  59 78(sub) 7(all), aP(31, 0)   10.46   15.83   25.80  74.75  89.06  80.99 pr:   4069.26, r:    4069.26
UM TTTSOLUTION  5:  60 96(sub) 6(all), aP(31, 0)   18.38   30.78   66.23  84.53  86.53  74.01 pr:  35826.02, r:   35826.02
UM TTTSOLUTION  6:  61 72(sub) 6(all), aP(44, 0)   42.15   52.62   54.66  96.30 107.09  93.88 pr: 114546.64, r:  114546.64
Peak table: 500(sub) 20(all)
Best cell:    80 indexed, Niggli aP(44, 0):    10.99    20.23    20.89    99.27    99.59    91.40 prim:   4513.01, red:    4513.01
Make subset: 0.00036
Make T-vectors: 0.04387
Make unit cell: 0.13896
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 2 obs out of 20 (total:20,skipped:0) (10.00%)
   UB - matrix:
      -0.000928    0.001000    0.000574   (  0.000104    0.000006    0.000025 )
       0.001174   -0.000194    0.001086   (  0.000035    0.000002    0.000009 )
       0.001772    0.000739   -0.000139   (  0.000067    0.000004    0.000016 )
   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:
      11.0(3) 20.2(5) 20.9(3)       
      99(2)   100(2)   91(2)   
      V = 4513(150) 
UB fit with 2 obs out of 20 (total:20,skipped:0) (10.00%)
   UB - matrix:
      -0.000928    0.001000    0.000574   (  0.000104    0.000006    0.000025 )
       0.001174   -0.000194    0.001086   (  0.000035    0.000002    0.000009 )
       0.001772    0.000739   -0.000139   (  0.000067    0.000004    0.000016 )
   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:
      11.0(3) 20.2(5) 20.9(3)       
      99(2)   100(2)   91(2)   
      V = 4513(150) 
UB fit with 2 obs out of 20 (total:20,skipped:0) (10.00%)
   UB - matrix:
      -0.000928    0.001000    0.000574   (  0.000104    0.000006    0.000025 )
       0.001174   -0.000194    0.001086   (  0.000035    0.000002    0.000009 )
       0.001772    0.000739   -0.000139   (  0.000067    0.000004    0.000016 )
   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:
      11.0(3) 20.2(5) 20.9(3)       
      99(2)   100(2)   91(2)   
      V = 4513(150) 
Primitive unit cell refinement
UB fit with 2 obs out of 20 (total:20,skipped:0) (10.00%)
   UB - matrix:
      -0.000928    0.001000    0.000574   (  0.000104    0.000006    0.000025 )
       0.001174   -0.000194    0.001086   (  0.000035    0.000002    0.000009 )
       0.001772    0.000739   -0.000139   (  0.000067    0.000004    0.000016 )
   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:
      11.0(3) 20.2(5) 20.9(3)       
      99(2)   100(2)   91(2)   
      V = 4513(150) 
? singular matrix due to nobs<3 (nobs:2,count:20,pRefineOrientODX_CRY)
UB fit with 2 obs out of 20 (total:20,skipped:0) (10.00%)
    unit cell:
      11.0(3) 20.2(5) 20.9(3)       
      99(2)   100(2)   91(2)   
      V = 4513(150) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:50 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: 75 peaks in the peak location table
75 peak locations are merged to 22 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 22 unindexed peaks to the CrysAlis peak table (22 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:50 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...
30 peak differences on 13 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 1726747190!
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:   1 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  2:   2 190(sub) 16(all), aP(31, 0)   43.26   50.86   58.78  87.34  75.24  71.12 pr: 118262.00, r:  118262.00
UM TTTSOLUTION  3:   3 210(sub) 16(all), aP(31, 0)   43.16   53.28   68.03  80.42  87.75  67.90 pr: 142861.98, r:  142861.98
Peak table: 500(sub) 30(all)
Best cell:   266 indexed, Niggli aP(31, 0):    37.23    42.94    46.63    73.01    85.94    70.08 prim:  66995.53, red:   66995.53
UM TTTSOLUTION  1:   4 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  2:   5 231(sub) 24(all), aP(31, 0)   29.80   43.21   71.58  87.39  82.15  84.00 pr:  90763.87, r:   90763.87
UM TTTSOLUTION  3:   6 190(sub) 16(all), aP(31, 0)   43.26   50.86   58.78  87.34  75.24  71.12 pr: 118262.00, r:  118262.00
UM TTTSOLUTION  4:   7 210(sub) 16(all), aP(31, 0)   43.16   53.28   68.03  80.42  87.75  67.90 pr: 142861.98, r:  142861.98
UM TTTSOLUTION  5:   8 209(sub) 14(all), aP(44, 0)   49.89   53.24   67.90  92.98 111.01  98.81 pr: 165273.90, r:  165273.90
Peak table: 500(sub) 30(all)
Best cell:   266 indexed, Niggli aP(31, 0):    37.23    42.94    46.63    73.01    85.94    70.08 prim:  66995.53, red:   66995.53
UM TTTSOLUTION  1:   9 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  10 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  11 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  12 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  13 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  14 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  15 190(sub) 16(all), aP(31, 0)   43.26   50.86   58.78  87.34  75.24  71.12 pr: 118262.00, r:  118262.00
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  16 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  17 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  18 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  19 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  20 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  21 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  22 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  23 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  24 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  25 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  26 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  27 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  28 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  29 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  30 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  31 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  32 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  33 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  34 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  35 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  36 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  37 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  38 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  39 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  40 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  41 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  42 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  43 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  44 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  45 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  46 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  47 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  48 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  49 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  50 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  51 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  52 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  53 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  54 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  55 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  6:  56 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
UM TTTSOLUTION  7:  57 231(sub) 18(all), aP(44, 0)   30.72   33.31  106.46  95.60  90.83 102.33 pr: 105849.14, r:  105849.14
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  58 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  59 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  3:  60 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  4:  61 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  5:  62 192(sub) 20(all), aP(44, 0)   29.85   55.93  106.24 100.76  96.01  98.00 pr: 170998.21, r:  170998.21
UM TTTSOLUTION  6:  63 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
UM TTTSOLUTION  7:  64 204(sub) 18(all), aP(31, 0)   21.60   29.77   71.41  82.45  87.97  84.03 pr:  45264.67, r:   45264.67
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  65 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  66 249(sub) 26(all), aP(31, 0)   43.25   49.59   96.29  86.75  89.57  85.39 pr: 205521.76, r:  205521.76
UM TTTSOLUTION  3:  67 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  4:  68 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  5:  69 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
UM TTTSOLUTION  6:  70 245(sub) 20(all), aP(31, 0)   43.10   49.86   87.46  76.75  83.08  84.83 pr: 181235.83, r:  181235.83
UM TTTSOLUTION  7:  71 251(sub) 18(all), aP(31, 0)   25.00   34.83   38.87  64.52  89.82  84.84 pr:  30408.78, r:   30408.78
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
UM TTTSOLUTION  1:  72 249(sub) 26(all), aP(44, 0)   29.99   43.18  103.63  95.06  95.64  96.55 pr: 131987.05, r:  131987.05
UM TTTSOLUTION  2:  73 249(sub) 26(all), aP(31, 0)   43.25   49.59   96.29  86.75  89.57  85.39 pr: 205521.76, r:  205521.76
UM TTTSOLUTION  3:  74 226(sub) 24(all), aP(31, 0)   22.66   30.04   36.63  71.86  79.21  70.61 pr:  22261.45, r:   22261.45
UM TTTSOLUTION  4:  75 266(sub) 24(all), aP(31, 0)   37.23   42.94   46.63  73.01  85.94  70.08 pr:  66995.53, r:   66995.53
UM TTTSOLUTION  5:  76 261(sub) 24(all), aP(44, 0)   38.50   49.59   53.08  93.83 104.83 103.76 pr:  94257.30, r:   94257.30
UM TTTSOLUTION  6:  77 257(sub) 24(all), aP(31, 0)   43.20   49.68   53.53  86.24  82.21  85.17 pr: 113257.58, r:  113257.58
UM TTTSOLUTION  7:  78 248(sub) 24(all), aP(44, 0)   43.07   48.17   82.18 103.72  93.74 109.09 pr: 154625.26, r:  154625.26
Peak table: 500(sub) 30(all)
Best cell:   249 indexed, Niggli aP(44, 0):    29.99    43.18   103.63    95.06    95.64    96.55 prim: 131987.05, red:  131987.05
Make subset: 0.00035
Make T-vectors: 0.02900
Make unit cell: 0.21462
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 26 obs out of 30 (total:30,skipped:0) (86.67%)
   UB - matrix:
       0.000487    0.000478    0.000112   (  0.000104    0.000006    0.000025 )
       0.000293    0.000111   -0.000212   (  0.000035    0.000002    0.000009 )
      -0.000629    0.000324   -0.000048   (  0.000067    0.000004    0.000016 )
   M - matrix:
       0.000001    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:
      29.9(4) 43.0(6) 106(2)       
      96(2)   93(2)    96(1) 
      V = 133850(3000) 
UB fit with 26 obs out of 30 (total:30,skipped:0) (86.67%)
   UB - matrix:
       0.000488    0.000475    0.000108   (  0.000001    0.000005    0.000008 )
       0.000293    0.000111   -0.000211   (  0.000001    0.000003    0.000005 )
      -0.000627    0.000333   -0.000035   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
      29.9(4) 43.0(6) 106(2)       
      96(2)   93(2)    96(1) 
      V = 133850(3000) 
UB fit with 26 obs out of 30 (total:30,skipped:0) (86.67%)
   UB - matrix:
       0.000488    0.000475    0.000108   (  0.000001    0.000005    0.000008 )
       0.000293    0.000111   -0.000211   (  0.000001    0.000003    0.000005 )
      -0.000627    0.000333   -0.000035   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
      29.9(4) 43.0(6) 106(2)       
      96(2)   93(2)    96(1) 
      V = 133850(3000) 
Primitive unit cell refinement
UB fit with 26 obs out of 30 (total:30,skipped:0) (86.67%)
   UB - matrix:
       0.000488    0.000475    0.000108   (  0.000001    0.000005    0.000008 )
       0.000293    0.000111   -0.000211   (  0.000001    0.000003    0.000005 )
      -0.000627    0.000333   -0.000035   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
      29.9(4) 43.0(6) 106(2)       
      96(2)   93(2)    96(1) 
      V = 133850(3000) 
   UB - matrix:
       0.000488    0.000475    0.000108   (  0.000001    0.000005    0.000008 )
       0.000293    0.000111   -0.000211   (  0.000001    0.000003    0.000005 )
      -0.000627    0.000333   -0.000035   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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 26 obs out of 30 (total:30,skipped:0) (86.67%)
    unit cell:
      29.9(4) 43.0(6) 106(2)       
      96(2)   93(2)    96(1) 
      V = 133850(3000) 
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 1726747191!
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) 22(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 22(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 22(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 22(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 22(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 22(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 63(sub) 9(all), aP(31, 0)    5.54    6.16    6.38  61.30  87.45  80.95 pr:    188.78, r:     188.78
UM TTTSOLUTION  2:   2 69(sub) 8(all), aP(31, 0)    5.47    6.68    7.07  68.87  82.94  82.83 pr:    238.36, r:     238.36
Peak table: 500(sub) 22(all)
Best cell:    63 indexed, Niggli aP(31, 0):     5.54     6.16     6.38    61.30    87.45    80.95 prim:    188.78, red:     188.78
UM TTTSOLUTION  1:   3 63(sub) 9(all), aP(31, 0)    5.54    6.16    6.38  61.30  87.45  80.95 pr:    188.78, r:     188.78
UM TTTSOLUTION  2:   4 69(sub) 8(all), aP(31, 0)    5.47    6.68    7.07  68.87  82.94  82.83 pr:    238.36, r:     238.36
Peak table: 500(sub) 22(all)
Best cell:    63 indexed, Niggli aP(31, 0):     5.54     6.16     6.38    61.30    87.45    80.95 prim:    188.78, red:     188.78
UM TTTSOLUTION  1:   5 63(sub) 9(all), aP(31, 0)    5.54    6.16    6.38  61.30  87.45  80.95 pr:    188.78, r:     188.78
UM TTTSOLUTION  2:   6 69(sub) 8(all), aP(31, 0)    5.47    6.68    7.07  68.87  82.94  82.83 pr:    238.36, r:     238.36
Peak table: 500(sub) 22(all)
Best cell:    63 indexed, Niggli aP(31, 0):     5.54     6.16     6.38    61.30    87.45    80.95 prim:    188.78, red:     188.78
UM TTTSOLUTION  1:   7 63(sub) 9(all), aP(31, 0)    5.54    6.16    6.38  61.30  87.45  80.95 pr:    188.78, r:     188.78
UM TTTSOLUTION  2:   8 69(sub) 8(all), aP(31, 0)    5.47    6.68    7.07  68.87  82.94  82.83 pr:    238.36, r:     238.36
UM TTTSOLUTION  3:   9 69(sub) 7(all), mI(43, 2)    4.98   68.75    6.23  90.36 101.41  89.49 pr:   1044.20, r:    2088.40
Peak table: 500(sub) 22(all)
Best cell:    63 indexed, Niggli aP(31, 0):     5.54     6.16     6.38    61.30    87.45    80.95 prim:    188.78, red:     188.78
Make subset: 0.00036
Make T-vectors: 0.06341
Make unit cell: 0.08639
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 3 obs out of 22 (total:22,skipped:0) (13.64%)
   UB - matrix:
      -0.003549   -0.001996    0.002290   (  0.000001    0.000005    0.000008 )
       0.002627   -0.002260    0.003767   (  0.000001    0.000003    0.000005 )
      -0.001247    0.003606    0.000825   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
       5.543(5)  6.162(11)  6.384(9)       
      61.30(16) 87.45(9)   80.95(11) 
      V = 188.8(4) 
UB fit with 3 obs out of 22 (total:22,skipped:0) (13.64%)
   UB - matrix:
      -0.003549   -0.001996    0.002290   (  0.000001    0.000005    0.000008 )
       0.002627   -0.002260    0.003767   (  0.000001    0.000003    0.000005 )
      -0.001247    0.003606    0.000825   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
       5.543(5)  6.162(11)  6.384(9)       
      61.30(16) 87.45(9)   80.95(11) 
      V = 188.8(4) 
UB fit with 3 obs out of 22 (total:22,skipped:0) (13.64%)
   UB - matrix:
      -0.003549   -0.001996    0.002290   (  0.000001    0.000005    0.000008 )
       0.002627   -0.002260    0.003767   (  0.000001    0.000003    0.000005 )
      -0.001247    0.003606    0.000825   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
       5.543(5)  6.162(11)  6.384(9)       
      61.30(16) 87.45(9)   80.95(11) 
      V = 188.8(4) 
Primitive unit cell refinement
UB fit with 3 obs out of 22 (total:22,skipped:0) (13.64%)
   UB - matrix:
      -0.003549   -0.001996    0.002290   (  0.000001    0.000005    0.000008 )
       0.002627   -0.002260    0.003767   (  0.000001    0.000003    0.000005 )
      -0.001247    0.003606    0.000825   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000001    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:
       5.543(5)  6.162(11)  6.384(9)       
      61.30(16) 87.45(9)   80.95(11) 
      V = 188.8(4) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 22 (total:22,skipped:0) (13.64%)
    unit cell:
       5.543(5)  6.162(11)  6.384(9)       
      61.30(16) 87.45(9)   80.95(11) 
      V = 188.8(4) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:51 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:51 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: 92 peaks in the peak location table
92 peak locations are merged to 27 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 27 unindexed peaks to the CrysAlis peak table (27 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:51 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...
44 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 1726747191!
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) 44(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   139 indexed, Niggli aP(31, 0):    29.08    29.34    52.12    87.99    89.53    76.89 prim:  43281.91, red:   43281.91
UM TTTSOLUTION  1:   2 100(sub) 16(all), aP(31, 0)   26.81   30.91   82.47  84.52  84.46  79.94 pr:  66749.54, r:   66749.54
UM TTTSOLUTION  2:   3 107(sub) 12(all), aP(44, 0)   48.91   58.06   77.59 111.43 100.03  97.55 pr: 197374.80, r:  197374.80
UM TTTSOLUTION  3:   4 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   100 indexed, Niggli aP(31, 0):    26.81    30.91    82.47    84.52    84.46    79.94 prim:  66749.54, red:   66749.54
UM TTTSOLUTION  1:   5 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  2:   6 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  3:   7 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   145 indexed, Niggli aP(31, 0):    40.73    48.87    70.37    75.03    84.43    83.71 prim: 134141.79, red:  134141.79
UM TTTSOLUTION  1:   8 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  2:   9 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  3:  10 112(sub) 12(all), aP(44, 0)   50.42   56.13   75.26  93.17 106.35 104.35 pr: 196206.75, r:  196206.75
UM TTTSOLUTION  4:  11 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
UM TTTSOLUTION  5:  12 112(sub) 10(all), aP(44, 0)   38.96   45.74   51.45  94.81 109.81 106.97 pr:  80795.75, r:   80795.75
Peak table: 500(sub) 44(all)
Best cell:   145 indexed, Niggli aP(31, 0):    40.73    48.87    70.37    75.03    84.43    83.71 prim: 134141.79, red:  134141.79
UM TTTSOLUTION  1:  13 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  2:  14 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  3:  15 112(sub) 12(all), aP(44, 0)   50.42   56.13   75.26  93.17 106.35 104.35 pr: 196206.75, r:  196206.75
UM TTTSOLUTION  4:  16 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
UM TTTSOLUTION  5:  17 112(sub) 10(all), aP(44, 0)   38.96   45.74   51.45  94.81 109.81 106.97 pr:  80795.75, r:   80795.75
Peak table: 500(sub) 44(all)
Best cell:   145 indexed, Niggli aP(31, 0):    40.73    48.87    70.37    75.03    84.43    83.71 prim: 134141.79, red:  134141.79
UM TTTSOLUTION  1:  18 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  2:  19 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  3:  20 123(sub) 12(all), aP(44, 0)   32.84   34.70   37.99  90.19  99.42 113.97 pr:  38907.57, r:   38907.57
UM TTTSOLUTION  4:  21 112(sub) 12(all), aP(44, 0)   50.42   56.13   75.26  93.17 106.35 104.35 pr: 196206.75, r:  196206.75
UM TTTSOLUTION  5:  22 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
UM TTTSOLUTION  6:  23 112(sub) 10(all), aP(44, 0)   38.96   45.74   51.45  94.81 109.81 106.97 pr:  80795.75, r:   80795.75
Peak table: 500(sub) 44(all)
Best cell:   145 indexed, Niggli aP(31, 0):    40.73    48.87    70.37    75.03    84.43    83.71 prim: 134141.79, red:  134141.79
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  24 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  2:  25 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  3:  26 123(sub) 12(all), aP(44, 0)   32.84   34.70   37.99  90.19  99.42 113.97 pr:  38907.57, r:   38907.57
UM TTTSOLUTION  4:  27 112(sub) 12(all), aP(44, 0)   50.42   56.13   75.26  93.17 106.35 104.35 pr: 196206.75, r:  196206.75
UM TTTSOLUTION  5:  28 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
UM TTTSOLUTION  6:  29 124(sub) 10(all), aP(44, 0)   39.31   44.85   52.38  95.58 107.74 107.60 pr:  82005.89, r:   82005.89
Peak table: 500(sub) 44(all)
Best cell:   145 indexed, Niggli aP(31, 0):    40.73    48.87    70.37    75.03    84.43    83.71 prim: 134141.79, red:  134141.79
UM TTTSOLUTION  1:  30 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  31 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  32 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  4:  33 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  5:  34 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTTSOLUTION  1:  35 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  36 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  37 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  38 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  39 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  40 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTTSOLUTION  1:  41 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  42 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  43 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  44 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  45 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  46 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTTSOLUTION  1:  47 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  48 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  49 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  50 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  51 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  52 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  53 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  54 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  55 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  56 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  57 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  58 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTTSOLUTION  1:  59 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  60 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  61 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  62 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  63 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  64 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  65 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  66 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  67 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  68 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  69 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  70 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
UM TTTSOLUTION  1:  71 153(sub) 14(all), aP(31, 0)   12.05   24.21   60.65  79.76  89.61  86.93 pr:  17383.87, r:   17383.87
UM TTTSOLUTION  2:  72 180(sub) 14(all), aP(44, 0)   11.56   44.17   60.89  91.01  92.47  96.56 pr:  30860.89, r:   30860.89
UM TTTSOLUTION  3:  73 132(sub) 14(all), aP(31, 0)   34.96   44.70   48.12  81.34  76.61  68.97 pr:  68095.18, r:   68095.18
UM TTTSOLUTION  4:  74 145(sub) 14(all), aP(31, 0)   40.73   48.87   70.37  75.03  84.43  83.71 pr: 134141.79, r:  134141.79
UM TTTSOLUTION  5:  75 135(sub) 14(all), aP(44, 0)   48.95   77.82   82.37 115.03  99.29 100.22 pr: 269730.99, r:  269730.99
UM TTTSOLUTION  6:  76 139(sub) 10(all), aP(31, 0)   29.08   29.34   52.12  87.99  89.53  76.89 pr:  43281.91, r:   43281.91
Peak table: 500(sub) 44(all)
Best cell:   153 indexed, Niggli aP(31, 0):    12.05    24.21    60.65    79.76    89.61    86.93 prim:  17383.87, red:   17383.87
Make subset: 0.00035
Make T-vectors: 0.07028
Make unit cell: 0.19187
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 14 obs out of 44 (total:44,skipped:0) (31.82%)
   UB - matrix:
      -0.001970    0.000381    0.000021   (  0.000001    0.000005    0.000008 )
       0.000683    0.000955    0.000014   (  0.000001    0.000003    0.000005 )
      -0.000082    0.000239   -0.000420   (  0.000001    0.000006    0.000009 )
   M - matrix:
       0.000004   -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:
      11.88(7) 24.6(3) 60.61(5)       
      79.2(3)  88.6(2) 86.5(8)  
      V = 17355(200) 
UB fit with 14 obs out of 44 (total:44,skipped:0) (31.82%)
   UB - matrix:
      -0.002012    0.000363    0.000023   (  0.000007    0.000003    0.000000 )
       0.000655    0.000944    0.000015   (  0.000030    0.000011    0.000000 )
      -0.000059    0.000248   -0.000421   (  0.000005    0.000002    0.000000 )
   M - matrix:
       0.000004   -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:
      11.88(7) 24.6(3) 60.61(5)       
      79.2(3)  88.6(2) 86.5(8)  
      V = 17355(200) 
UB fit with 14 obs out of 44 (total:44,skipped:0) (31.82%)
   UB - matrix:
      -0.002012    0.000363    0.000023   (  0.000007    0.000003    0.000000 )
       0.000655    0.000944    0.000015   (  0.000030    0.000011    0.000000 )
      -0.000059    0.000248   -0.000421   (  0.000005    0.000002    0.000000 )
   M - matrix:
       0.000004   -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:
      11.88(7) 24.6(3) 60.61(5)       
      79.2(3)  88.6(2) 86.5(8)  
      V = 17355(200) 
Primitive unit cell refinement
UB fit with 14 obs out of 44 (total:44,skipped:0) (31.82%)
   UB - matrix:
      -0.002012    0.000363    0.000023   (  0.000007    0.000003    0.000000 )
       0.000655    0.000944    0.000015   (  0.000030    0.000011    0.000000 )
      -0.000059    0.000248   -0.000421   (  0.000005    0.000002    0.000000 )
   M - matrix:
       0.000004   -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:
      11.88(7) 24.6(3) 60.61(5)       
      79.2(3)  88.6(2) 86.5(8)  
      V = 17355(200) 
L.-M. par. unrealistic high...
   No constraint
   UB - matrix:
       0.000374   -0.000012    0.002012   (  0.000003    0.000000    0.000007 )
       0.000951   -0.000007   -0.000655   (  0.000011    0.000000    0.000030 )
       0.000038    0.000210    0.000059   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001   -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    0.000004   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000374   -0.000012    0.002012   (  0.000003    0.000000    0.000007 )
       0.000951   -0.000007   -0.000655   (  0.000011    0.000000    0.000030 )
       0.000038    0.000210    0.000059   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000004    0.000008    0.000002   (  0.000004    0.000008    0.000002 )
       0.000008    0.000017    0.000004   (  0.000008    0.000015    0.000004 )
       0.000002    0.000004    0.000001   (  0.000002    0.000004    0.000001 )
UB fit with 14 obs out of 44 (total:44,skipped:0) (31.82%)
    unit cell:
      24.6(3)   119.09(2) 11.88(7)        
      89.26(13)  93.5(8)  89.11(13) 
      V = 34711(400) 
    unit cell:
       69(1800)  19(120)  134(3000)       
      110(1700) 148(7000)  99(1500) 
      V = 34711(1300000) 
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 1726747191!
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) 27(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 27(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 27(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 27(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 27(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    57 indexed, Niggli aP(44, 0):     7.89    12.44    16.47   104.74    95.61    95.81 prim:   1543.21, red:    1543.21
UM TTTSOLUTION  1:   2 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    57 indexed, Niggli aP(44, 0):     7.89    12.44    16.47   104.74    95.61    95.81 prim:   1543.21, red:    1543.21
UM TTTSOLUTION  1:   3 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    57 indexed, Niggli aP(44, 0):     7.89    12.44    16.47   104.74    95.61    95.81 prim:   1543.21, red:    1543.21
UM TTTSOLUTION  1:   4 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:   5 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
UM TTTSOLUTION  1:   6 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:   7 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
UM TTTSOLUTION  1:   8 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:   9 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
UM TTTSOLUTION  1:  10 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:  11 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  12 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:  13 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
UM TTTSOLUTION  1:  14 56(sub) 10(all), aP(31, 0)    7.42    8.81    9.06  82.78  89.71  75.06 pr:    567.30, r:     567.30
UM TTTSOLUTION  2:  15 57(sub) 10(all), aP(44, 0)    7.89   12.44   16.47 104.74  95.61  95.81 pr:   1543.21, r:    1543.21
Peak table: 500(sub) 27(all)
Best cell:    56 indexed, Niggli aP(31, 0):     7.42     8.81     9.06    82.78    89.71    75.06 prim:    567.30, red:     567.30
Make subset: 0.00035
Make T-vectors: 0.07138
Make unit cell: 0.06636
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 3 obs out of 27 (total:27,skipped:0) (11.11%)
   UB - matrix:
      -0.000162   -0.002793    0.000803   (  0.000003    0.000000    0.000007 )
       0.002263   -0.000218    0.002116   (  0.000011    0.000000    0.000030 )
      -0.002669    0.000996    0.001640   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001   -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    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.42(4)  8.812(8)  9.06(5)       
      82.8(2)  89.7(4)   75.1(2)  
      V = 567(5) 
UB fit with 3 obs out of 27 (total:27,skipped:0) (11.11%)
   UB - matrix:
      -0.000162   -0.002793    0.000803   (  0.000003    0.000000    0.000007 )
       0.002263   -0.000218    0.002116   (  0.000011    0.000000    0.000030 )
      -0.002669    0.000996    0.001640   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001   -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    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.42(4)  8.812(8)  9.06(5)       
      82.8(2)  89.7(4)   75.1(2)  
      V = 567(5) 
UB fit with 3 obs out of 27 (total:27,skipped:0) (11.11%)
   UB - matrix:
      -0.000162   -0.002793    0.000803   (  0.000003    0.000000    0.000007 )
       0.002263   -0.000218    0.002116   (  0.000011    0.000000    0.000030 )
      -0.002669    0.000996    0.001640   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001   -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    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.42(4)  8.812(8)  9.06(5)       
      82.8(2)  89.7(4)   75.1(2)  
      V = 567(5) 
Primitive unit cell refinement
UB fit with 3 obs out of 27 (total:27,skipped:0) (11.11%)
   UB - matrix:
      -0.000162   -0.002793    0.000803   (  0.000003    0.000000    0.000007 )
       0.002263   -0.000218    0.002116   (  0.000011    0.000000    0.000030 )
      -0.002669    0.000996    0.001640   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001   -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    0.000004   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.42(4)  8.812(8)  9.06(5)       
      82.8(2)  89.7(4)   75.1(2)  
      V = 567(5) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 3 obs out of 27 (total:27,skipped:0) (11.11%)
    unit cell:
       7.42(4)  8.812(8)  9.06(5)       
      82.8(2)  89.7(4)   75.1(2)  
      V = 567(5) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:52 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:52 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 28 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 28 unindexed peaks to the CrysAlis peak table (28 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:52 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...
30 peak differences on 18 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 1726747192!
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:   1 157(sub) 14(all), aP(31, 0)   33.32   35.72   78.72  80.44  78.22  86.78 pr:  90412.04, r:   90412.04
UM TTTSOLUTION  2:   2 142(sub) 12(all), aP(31, 0)   20.22   33.45   75.27  81.21  82.42  81.75 pr:  49488.38, r:   49488.38
UM TTTSOLUTION  3:   3 131(sub) 10(all), aP(44, 0)   29.78   35.94   78.78 100.00  95.13 108.09 pr:  78016.79, r:   78016.79
Peak table: 500(sub) 30(all)
Best cell:   157 indexed, Niggli aP(31, 0):    33.32    35.72    78.72    80.44    78.22    86.78 prim:  90412.04, red:   90412.04
UM TTTSOLUTION  1:   4 157(sub) 14(all), aP(31, 0)   33.32   35.72   78.72  80.44  78.22  86.78 pr:  90412.04, r:   90412.04
UM TTTSOLUTION  2:   5 142(sub) 12(all), aP(31, 0)   20.22   33.45   75.27  81.21  82.42  81.75 pr:  49488.38, r:   49488.38
Peak table: 500(sub) 30(all)
Best cell:   157 indexed, Niggli aP(31, 0):    33.32    35.72    78.72    80.44    78.22    86.78 prim:  90412.04, red:   90412.04
UM TTTSOLUTION  1:   6 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:   7 158(sub) 16(all), aP(31, 0)   31.50   36.58   87.44  84.34  82.39  87.05 pr:  99325.05, r:   99325.05
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:   8 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:   9 167(sub) 18(all), aP(31, 0)   38.35   78.98   93.22  73.77  82.37  78.82 pr: 265004.04, r:  265004.04
UM TTTSOLUTION  3:  10 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  4:  11 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:  12 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  13 167(sub) 18(all), aP(31, 0)   38.35   78.98   93.22  73.77  82.37  78.82 pr: 265004.04, r:  265004.04
UM TTTSOLUTION  3:  14 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  4:  15 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:  16 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  17 167(sub) 18(all), aP(31, 0)   38.35   78.98   93.22  73.77  82.37  78.82 pr: 265004.04, r:  265004.04
UM TTTSOLUTION  3:  18 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  4:  19 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  20 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  21 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  3:  22 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  4:  23 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  5:  24 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  6:  25 157(sub) 14(all), aP(44, 0)   31.77   36.09   60.53  94.41 101.09  90.90 pr:  67869.95, r:   67869.95
UM TTTSOLUTION  7:  26 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:  27 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  28 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  3:  29 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  4:  30 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  5:  31 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  6:  32 157(sub) 14(all), aP(44, 0)   31.77   36.09   60.53  94.41 101.09  90.90 pr:  67869.95, r:   67869.95
UM TTTSOLUTION  7:  33 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  34 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  35 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  3:  36 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  4:  37 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  5:  38 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  6:  39 157(sub) 14(all), aP(44, 0)   31.77   36.09   60.53  94.41 101.09  90.90 pr:  67869.95, r:   67869.95
UM TTTSOLUTION  7:  40 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:  41 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  42 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  3:  43 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  4:  44 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  5:  45 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  6:  46 157(sub) 14(all), aP(44, 0)   31.77   36.09   60.53  94.41 101.09  90.90 pr:  67869.95, r:   67869.95
UM TTTSOLUTION  7:  47 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  48 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  49 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  3:  50 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  4:  51 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  5:  52 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  6:  53 157(sub) 14(all), aP(44, 0)   31.77   36.09   60.53  94.41 101.09  90.90 pr:  67869.95, r:   67869.95
UM TTTSOLUTION  7:  54 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
UM TTTSOLUTION  1:  55 222(sub) 20(all), aP(44, 0)   31.40   36.87   78.91 101.02 100.74  93.72 pr:  87638.13, r:   87638.13
UM TTTSOLUTION  2:  56 161(sub) 18(all), aP(31, 0)   48.78   59.94   60.58  68.81  66.88  79.51 pr: 151736.45, r:  151736.45
UM TTTSOLUTION  3:  57 184(sub) 18(all), aP(31, 0)   56.33   69.09   81.70  67.47  70.96  88.46 pr: 275849.09, r:  275849.09
UM TTTSOLUTION  4:  58 170(sub) 18(all), aP(44, 0)   55.80   81.99   86.82 117.23  93.01  94.29 pr: 350507.05, r:  350507.05
UM TTTSOLUTION  5:  59 156(sub) 18(all), aP(44, 0)   83.92   89.59   96.06 110.60 105.73 100.11 pr: 620597.80, r:  620597.80
UM TTTSOLUTION  6:  60 155(sub) 18(all), aP(44, 0)   95.46   98.28  100.47 112.13 100.29 110.99 pr: 759769.15, r:  759769.15
UM TTTSOLUTION  7:  61 196(sub) 14(all), aP(31, 0)   36.38   40.20   78.82  82.25  79.64  67.28 pr: 104336.04, r:  104336.04
Peak table: 500(sub) 30(all)
Best cell:   222 indexed, Niggli aP(44, 0):    31.40    36.87    78.91   101.02   100.74    93.72 prim:  87638.13, red:   87638.13
Make subset: 0.00035
Make T-vectors: 0.03590
Make unit cell: 0.20185
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 20 obs out of 30 (total:30,skipped:0) (66.67%)
   UB - matrix:
       0.000471   -0.000446    0.000128   (  0.000003    0.000000    0.000007 )
       0.000599    0.000518    0.000129   (  0.000011    0.000000    0.000030 )
      -0.000298    0.000138    0.000277   (  0.000002    0.000000    0.000005 )
   M - matrix:
       0.000001    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:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
UB fit with 20 obs out of 30 (total:30,skipped:0) (66.67%)
   UB - matrix:
       0.000476   -0.000432    0.000129   (  0.000007    0.000019    0.000001 )
       0.000614    0.000562    0.000132   (  0.000007    0.000020    0.000001 )
      -0.000305    0.000115    0.000275   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000001    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:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
UB fit with 20 obs out of 30 (total:30,skipped:0) (66.67%)
   UB - matrix:
       0.000476   -0.000432    0.000129   (  0.000007    0.000019    0.000001 )
       0.000614    0.000562    0.000132   (  0.000007    0.000020    0.000001 )
      -0.000305    0.000115    0.000275   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000001    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:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
Primitive unit cell refinement
UB fit with 20 obs out of 30 (total:30,skipped:0) (66.67%)
   UB - matrix:
       0.000476   -0.000432    0.000129   (  0.000007    0.000019    0.000001 )
       0.000614    0.000562    0.000132   (  0.000007    0.000020    0.000001 )
      -0.000305    0.000115    0.000275   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000001    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:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
   UB - matrix:
       0.000476   -0.000432    0.000129   (  0.000007    0.000019    0.000001 )
       0.000614    0.000562    0.000132   (  0.000007    0.000020    0.000001 )
      -0.000305    0.000115    0.000275   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000001    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 20 obs out of 30 (total:30,skipped:0) (66.67%)
    unit cell:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
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 1726747192!
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) 28(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 28(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00206
Make T-vectors: 0.18041
Make unit cell: 0.10523
   UB - matrix:
       0.000476   -0.000432    0.000129   (  0.000007    0.000019    0.000001 )
       0.000614    0.000562    0.000132   (  0.000007    0.000020    0.000001 )
      -0.000305    0.000115    0.000275   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000001    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 0 obs out of 28 (total:28,skipped:0) (0.00%)
    unit cell:
       31.0(5)  36.1(7) 78.8(6)       
      100(1)   100.5(9) 98(1)   
      V = 84109(2000) 
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 4 obs out of 28 (total:28,skipped:0) (14.29%)
    unit cell:
       7.420(17)  8.81(5)   9.056(18)       
      82.8(3)    89.71(18) 75.1(4)    
      V = 567(4) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:52 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:52 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: 131 peaks in the peak location table
131 peak locations are merged to 36 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 36 unindexed peaks to the CrysAlis peak table (36 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:53 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...
46 peak differences on 21 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 1726747193!
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) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00189
Make T-vectors: 0.23506
Make unit cell: 0.07405
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 1726747193!
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) 36(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 36(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00205
Make T-vectors: 0.23671
Make unit cell: 0.07997
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 4 obs out of 36 (total:36,skipped:0) (11.11%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:53 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:53 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: 150 peaks in the peak location table
150 peak locations are merged to 41 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 41 unindexed peaks to the CrysAlis peak table (41 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:53 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...
52 peak differences on 24 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 1726747193!
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) 52(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 52(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00199
Make T-vectors: 0.24411
Make unit cell: 0.10886
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 1726747194!
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) 41(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 41(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00210
Make T-vectors: 0.24018
Make unit cell: 0.08018
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 4 obs out of 41 (total:41,skipped:0) (9.76%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:54 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:54 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: 171 peaks in the peak location table
171 peak locations are merged to 45 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 45 unindexed peaks to the CrysAlis peak table (45 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:54 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...
50 peak differences on 27 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 1726747194!
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) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00209
Make T-vectors: 0.27894
Make unit cell: 0.10421
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 1726747195!
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) 45(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 45(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00201
Make T-vectors: 0.24197
Make unit cell: 0.07186
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 5 obs out of 45 (total:45,skipped:0) (11.11%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:55 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:55 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: 180 peaks in the peak location table
180 peak locations are merged to 46 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 46 unindexed peaks to the CrysAlis peak table (46 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:55 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 INFO: Dirax started...
50 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 1726747195!
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) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 50(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00201
Make T-vectors: 0.28083
Make unit cell: 0.08283
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 1726747196!
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) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 46(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00205
Make T-vectors: 0.24896
Make unit cell: 0.07823
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 5 obs out of 46 (total:46,skipped:0) (10.87%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:56 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:56 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: 200 peaks in the peak location table
200 peak locations are merged to 53 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 53 unindexed peaks to the CrysAlis peak table (53 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:56 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 INFO: Dirax started...
68 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 1726747196!
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) 68(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 68(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00190
Make T-vectors: 0.24198
Make unit cell: 0.07712
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 1726747196!
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) 53(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 53(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00208
Make T-vectors: 0.24792
Make unit cell: 0.07806
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 6 obs out of 53 (total:53,skipped:0) (11.32%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:57 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:57 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: 225 peaks in the peak location table
225 peak locations are merged to 58 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 58 unindexed peaks to the CrysAlis peak table (58 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:57 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 INFO: Dirax started...
72 peak differences on 34 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 1726747197!
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) 72(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 72(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00197
Make T-vectors: 0.27746
Make unit cell: 0.09125
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 1726747197!
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) 58(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 58(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00201
Make T-vectors: 0.27935
Make unit cell: 0.09539
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 6 obs out of 58 (total:58,skipped:0) (10.34%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 13:59:58 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:58 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: 241 peaks in the peak location table
241 peak locations are merged to 60 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 60 unindexed peaks to the CrysAlis peak table (60 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:58 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...
66 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 1726747198!
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: 0.00197
Make T-vectors: 0.26064
Make unit cell: 0.09502
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 1726747198!
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) 60(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 60(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00197
Make T-vectors: 0.25808
Make unit cell: 0.06485
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000007    0.000019    0.000001 )
       0.000000    0.025000    0.000000   (  0.000007    0.000020    0.000001 )
       0.000000    0.000000    0.025000   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000625    0.000000   (  0.000001    0.000001    0.000000 )
       0.000000    0.000000    0.000625   (  0.000000    0.000000    0.000000 )
UB fit with 7 obs out of 60 (total:60,skipped:0) (11.67%)
    unit cell:
       1.0040(3)  1.0040(8)  1.00400(3)       
      90.00(3)   90.000(10) 90.00(5)    
      V = 1.0120(9) 
AUTO INFO: Dirax ended...

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

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:59 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: 266 peaks in the peak location table
266 peak locations are merged to 72 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 72 unindexed peaks to the CrysAlis peak table (72 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:59 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...
113 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 1726747199!
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: 113(sub) 113(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 113(sub) 113(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 26(sub) 33(all), mI(37, 2)   15.14    6.42   27.58  89.81  94.66  89.60 pr:   1336.59, r:    2673.18
Peak table: 113(sub) 113(all)
Best cell:    26 indexed, Niggli mI(37, 2):    15.14     6.42    27.58    89.81    94.66    89.60 prim:   1336.59, red:    2673.18
UM TTTSOLUTION  1:   2 26(sub) 33(all), mI(37, 2)   15.14    6.42   27.58  89.81  94.66  89.60 pr:   1336.59, r:    2673.18
Peak table: 113(sub) 113(all)
Best cell:    26 indexed, Niggli mI(37, 2):    15.14     6.42    27.58    89.81    94.66    89.60 prim:   1336.59, red:    2673.18
UM TTTSOLUTION  1:   3 26(sub) 33(all), mI(37, 2)   15.14    6.42   27.58  89.81  94.66  89.60 pr:   1336.59, r:    2673.18
Peak table: 113(sub) 113(all)
Best cell:    26 indexed, Niggli mI(37, 2):    15.14     6.42    27.58    89.81    94.66    89.60 prim:   1336.59, red:    2673.18
UM TTTSOLUTION  1:   4 26(sub) 33(all), mI(37, 2)   15.14    6.42   27.58  89.81  94.66  89.60 pr:   1336.59, r:    2673.18
Peak table: 113(sub) 113(all)
Best cell:    26 indexed, Niggli mI(37, 2):    15.14     6.42    27.58    89.81    94.66    89.60 prim:   1336.59, red:    2673.18
Make subset: 0.00001
Make T-vectors: 0.01799
Make unit cell: 0.03714
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 28 obs out of 113 (total:113,skipped:0) (24.78%)
   UB - matrix:
       0.003272    0.000226    0.001297   (  0.000007    0.000019    0.000001 )
      -0.002302    0.000203    0.001188   (  0.000007    0.000020    0.000001 )
      -0.000261   -0.001806   -0.000490   (  0.000004    0.000011    0.000001 )
   M - matrix:
       0.000016    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000001   (  0.000000    0.000000    0.000000 )
       0.000001    0.000001    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.46(7) 15.26(9) 15.22(17)       
      114(1)    99.4(9)  90(1)     
      V = 1349(20) 
UB fit with 28 obs out of 113 (total:113,skipped:0) (24.78%)
   UB - matrix:
       0.003122    0.000207    0.001305   (  0.000062    0.000004    0.000004 )
      -0.002410    0.000177    0.001190   (  0.000060    0.000004    0.000003 )
      -0.000142   -0.001784   -0.000495   (  0.000100    0.000006    0.000006 )
   M - matrix:
       0.000016    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000001   (  0.000000    0.000000    0.000000 )
       0.000001    0.000001    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.46(7) 15.26(9) 15.22(17)       
      114(1)    99.4(9)  90(1)     
      V = 1349(20) 
UB fit with 33 obs out of 113 (total:113,skipped:0) (29.20%)
   UB - matrix:
       0.003143    0.000201    0.001302   (  0.000073    0.000004    0.000004 )
      -0.002392    0.000173    0.001188   (  0.000064    0.000004    0.000003 )
      -0.000152   -0.001785   -0.000494   (  0.000093    0.000006    0.000005 )
   M - matrix:
       0.000016    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000003    0.000001   (  0.000000    0.000000    0.000000 )
       0.000001    0.000001    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.46(8) 15.24(8) 15.25(19)       
      114(1)    100(1)    89.6(10)  
      V = 1350(20) 
Primitive unit cell refinement
UB fit with 28 obs out of 113 (total:113,skipped:0) (24.78%)
   UB - matrix:
       0.003122    0.000207    0.001305   (  0.000062    0.000004    0.000004 )
      -0.002410    0.000177    0.001190   (  0.000060    0.000004    0.000003 )
      -0.000142   -0.001784   -0.000495   (  0.000100    0.000006    0.000006 )
   M - matrix:
       0.000016    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
       0.000000    0.000003    0.000001   (  0.000000    0.000000    0.000000 )
       0.000001    0.000001    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.46(7) 15.26(9) 15.22(17)       
      114(1)    99.4(9)  90(1)     
      V = 1349(20) 
   No constraint
   UB - matrix:
       0.000452    0.002495    0.000650   (  0.000013    0.000116    0.000005 )
       0.000420   -0.002745    0.000583   (  0.000019    0.000164    0.000008 )
       0.001547   -0.000304   -0.000230   (  0.000013    0.000113    0.000005 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000014    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000452    0.002495    0.000650   (  0.000013    0.000116    0.000005 )
       0.000420   -0.002745    0.000583   (  0.000019    0.000164    0.000008 )
       0.001547   -0.000304   -0.000230   (  0.000013    0.000113    0.000005 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015   -0.000000   (  0.000000    0.000059    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 33 obs out of 113 (total:113,skipped:0) (29.20%)
    unit cell:
      15.23(15)  6.77(19) 28.0(7)       
      92(2)     97(1)     85(1)   
      V = 2856(110) 
    unit cell:
      15(1)     7(13) 28(2)       
      89.9(10) 95(1)  91(4) 
      V = 2856(5000) 
L.-M. par. unrealistic high...
   No constraint
   UB - matrix:
       0.000441    0.002229    0.000664   (  0.000005    0.000084    0.000004 )
       0.000422   -0.002335    0.000567   (  0.000008    0.000118    0.000006 )
       0.001536   -0.000102   -0.000244   (  0.000010    0.000160    0.000008 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000010    0.000000   (  0.000000    0.000001    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000441    0.002229    0.000664   (  0.000005    0.000084    0.000004 )
       0.000422   -0.002335    0.000567   (  0.000008    0.000118    0.000006 )
       0.001536   -0.000102   -0.000244   (  0.000010    0.000160    0.000008 )
   M - matrix:
       0.000003   -0.000122    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000122    0.000015   -0.000000   (  0.000000    0.000059    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 15 obs out of 72 (total:72,skipped:0) (20.83%)
    unit cell:
      15.28(17)  7.79(18) 27.9(6)       
      94(2)     96(2)     88(2)   
      V = 3293(110) 
    unit cell:
       -nan(ind)    -nan(ind)    -nan(ind)         
      90.0      90.0      90.0      
      V = -na000000(11) 
   No constraint
   UB - matrix:
       0.000450    0.002058    0.000671   (  0.000005    0.000085    0.000004 )
       0.000435   -0.002667    0.000581   (  0.000007    0.000112    0.000005 )
       0.001534   -0.000022   -0.000248   (  0.000012    0.000209    0.000009 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000011   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000450    0.002058    0.000671   (  0.000005    0.000085    0.000004 )
       0.000435   -0.002667    0.000581   (  0.000007    0.000112    0.000005 )
       0.001534   -0.000022   -0.000248   (  0.000012    0.000209    0.000009 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000010    0.000000   (  0.000000    0.000034    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 16 obs out of 72 (total:72,skipped:0) (22.22%)
    unit cell:
      15.3(2)  7.47(16) 27.4(6)       
      87(2)   96(2)     88(3)   
      V = 3101(90) 
    unit cell:
      15(1)   8(12) 27(3)       
      93(12) 96(2)  89(5) 
      V = 3101(4000) 
L.-M. par. unrealistic high...
   No constraint
   UB - matrix:
       0.000446    0.002200    0.000665   (  0.000006    0.000093    0.000004 )
       0.000438   -0.002804    0.000588   (  0.000007    0.000109    0.000004 )
       0.001535   -0.000037   -0.000247   (  0.000012    0.000170    0.000007 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000013   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000446    0.002200    0.000665   (  0.000006    0.000093    0.000004 )
       0.000438   -0.002804    0.000588   (  0.000007    0.000109    0.000004 )
       0.001535   -0.000037   -0.000247   (  0.000012    0.000170    0.000007 )
   M - matrix:
       0.000003   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000010    0.000000   (  0.000000    0.000034    0.000000 )
       0.000000    0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 16 obs out of 72 (total:72,skipped:0) (22.22%)
    unit cell:
      15.26(17)  7.06(15) 27.5(6)       
      87(2)     96(2)     87(2)   
      V = 2933(80) 
    unit cell:
      15(1)   8(12) 27(3)       
      93(12) 96(2)  89(5) 
      V = 2933(4000) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

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

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:59 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: 292 peaks in the peak location table
292 peak locations are merged to 75 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 75 unindexed peaks to the CrysAlis peak table (75 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 13:59:59 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...
115 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 1726747199!
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: 115(sub) 115(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 115(sub) 115(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02387
Make unit cell: 0.02586
Primitive unit cell refinement
UB fit with 27 obs out of 115 (total:115,skipped:0) (23.48%)
   UB - matrix:
       0.003272    0.000226    0.001297   (  0.000006    0.000093    0.000004 )
      -0.002302    0.000203    0.001188   (  0.000007    0.000109    0.000004 )
      -0.000261   -0.001806   -0.000490   (  0.000012    0.000170    0.000007 )
   M - matrix:
       0.000016    0.000000    0.000001   (  0.000001    0.000000    0.000000 )
       0.000000    0.000003    0.000001   (  0.000000    0.000000    0.000000 )
       0.000001    0.000001    0.000003   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.30(8) 15.27(9) 15.3(2)       
      114(1)    99(1)    90(1)   
      V = 1318(20) 
   No constraint
   UB - matrix:
       0.000419    0.002509    0.000654   (  0.000009    0.000135    0.000006 )
       0.000392   -0.002984    0.000598   (  0.000014    0.000206    0.000009 )
       0.001539   -0.000277   -0.000230   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003   -0.000001    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000015   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
       0.000419    0.002509    0.000654   (  0.000009    0.000135    0.000006 )
       0.000392   -0.002984    0.000598   (  0.000014    0.000206    0.000009 )
       0.001539   -0.000277   -0.000230   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000016   -0.000000   (  0.000000    0.000055    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
UB fit with 17 obs out of 115 (total:115,skipped:0) (14.78%)
    unit cell:
      15.41(11)  6.4(2) 27.6(8)       
      89(2)     96(1)   85(1)   
      V = 2713(120) 
    unit cell:
      15.3(9)  6(11)   28(2)       
      89(3)   94.6(10) 91(4) 
      V = 2713(4000) 
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 1726747199!
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: 75(sub) 75(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 9(sub) 15(all), aP(44, 0)    7.12    9.81   14.29  99.36 102.81  90.96 pr:    959.10, r:     959.10
Peak table: 75(sub) 75(all)
Best cell:     9 indexed, Niggli aP(44, 0):     7.12     9.81    14.29    99.36   102.81    90.96 prim:    959.10, red:     959.10
UM TTTSOLUTION  1:   2 9(sub) 15(all), aP(44, 0)    7.12    9.81   14.29  99.36 102.81  90.96 pr:    959.10, r:     959.10
Peak table: 75(sub) 75(all)
Best cell:     9 indexed, Niggli aP(44, 0):     7.12     9.81    14.29    99.36   102.81    90.96 prim:    959.10, red:     959.10
UM TTTSOLUTION  1:   3 21(sub) 25(all), aP(44, 0)    6.89   10.63   18.48 100.07  96.40  92.06 pr:   1322.29, r:    1322.29
Peak table: 75(sub) 75(all)
Best cell:    21 indexed, Niggli aP(44, 0):     6.89    10.63    18.48   100.07    96.40    92.06 prim:   1322.29, red:    1322.29
UM TTTSOLUTION  1:   4 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:   5 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:   6 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:   7 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:   8 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:   9 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  10 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  11 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:  12 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  13 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  14 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  15 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  16 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  17 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:  18 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  19 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  20 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  21 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  22 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  23 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:  24 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  25 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  26 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
UM TTTSOLUTION  4:  27 19(sub) 26(all), aP(44, 0)   10.78   14.63   16.08 111.11 103.64 100.26 pr:   2200.61, r:    2200.61
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  28 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  29 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  30 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
UM TTTSOLUTION  4:  31 19(sub) 26(all), aP(44, 0)   10.78   14.63   16.08 111.11 103.64 100.26 pr:   2200.61, r:    2200.61
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
UM TTTSOLUTION  1:  32 26(sub) 30(all), aP(31, 0)   10.05   10.55   15.24  89.46  80.64  63.37 pr:   1422.21, r:    1422.21
UM TTTSOLUTION  2:  33 18(sub) 28(all), aP(31, 0)    7.13   18.76   27.51  70.25  87.98  79.63 pr:   3403.04, r:    3403.04
UM TTTSOLUTION  3:  34 19(sub) 27(all), aP(31, 0)    6.53    7.88   10.40  69.76  75.60  89.80 pr:    484.41, r:     484.41
UM TTTSOLUTION  4:  35 19(sub) 26(all), aP(44, 0)   10.78   14.63   16.08 111.11 103.64 100.26 pr:   2200.61, r:    2200.61
Peak table: 75(sub) 75(all)
Best cell:    26 indexed, Niggli aP(31, 0):    10.05    10.55    15.24    89.46    80.64    63.37 prim:   1422.21, red:    1422.21
Make subset: 0.00000
Make T-vectors: 0.00732
Make unit cell: 0.08482
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
   UB - matrix:
       0.000749   -0.002416    0.000579   (  0.000009    0.000135    0.000006 )
       0.002736   -0.000627   -0.000522   (  0.000014    0.000206    0.000009 )
       0.000103    0.000941    0.001481   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003   -0.000001    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000015   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.1(2) 10.6(5) 15.2(4)       
      89(3)   81(3)   63(5)   
      V = 1422(80) 
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
   UB - matrix:
       0.000749   -0.002416    0.000579   (  0.000009    0.000135    0.000006 )
       0.002736   -0.000627   -0.000522   (  0.000014    0.000206    0.000009 )
       0.000103    0.000941    0.001481   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003   -0.000001    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000015   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.1(2) 10.6(5) 15.2(4)       
      89(3)   81(3)   63(5)   
      V = 1422(80) 
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
   UB - matrix:
       0.000749   -0.002416    0.000579   (  0.000009    0.000135    0.000006 )
       0.002736   -0.000627   -0.000522   (  0.000014    0.000206    0.000009 )
       0.000103    0.000941    0.001481   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003   -0.000001    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000015   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.1(2) 10.6(5) 15.2(4)       
      89(3)   81(3)   63(5)   
      V = 1422(80) 
Primitive unit cell refinement
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
   UB - matrix:
       0.000749   -0.002416    0.000579   (  0.000009    0.000135    0.000006 )
       0.002736   -0.000627   -0.000522   (  0.000014    0.000206    0.000009 )
       0.000103    0.000941    0.001481   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000003   -0.000001    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000015   -0.000000   (  0.000000    0.000001    0.000000 )
       0.000000   -0.000000    0.000001   (  0.000000    0.000000    0.000000 )
    unit cell:
      10.1(2) 10.6(5) 15.2(4)       
      89(3)   81(3)   63(5)   
      V = 1422(80) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
    unit cell:
      10.1(2) 10.6(5) 15.2(4)       
      89(3)   81(3)   63(5)   
      V = 1422(80) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

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

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 13:59:59 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: 303 peaks in the peak location table
303 peak locations are merged to 75 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 75 unindexed peaks to the CrysAlis peak table (75 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:00 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...
107 peak differences on 42 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 1726747200!
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: 107(sub) 107(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 107(sub) 107(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 23(sub) 26(all), aP(31, 0)    7.52   18.99   38.42  88.45  87.01  80.82 pr:   5410.75, r:    5410.75
UM TTTSOLUTION  2:   2 18(sub) 15(all), aP(31, 0)    7.69   19.57   21.15  77.65  82.81  80.13 pr:   3049.35, r:    3049.35
Peak table: 107(sub) 107(all)
Best cell:    23 indexed, Niggli aP(31, 0):     7.52    18.99    38.42    88.45    87.01    80.82 prim:   5410.75, red:    5410.75
Make subset: 0.00002
Make T-vectors: 0.02361
Make unit cell: 0.05037
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 26 obs out of 107 (total:107,skipped:0) (24.30%)
   UB - matrix:
       0.002440   -0.000629    0.000370   (  0.000009    0.000135    0.000006 )
      -0.002289   -0.000584    0.000351   (  0.000014    0.000206    0.000009 )
       0.000506   -0.001027   -0.000410   (  0.000008    0.000109    0.000005 )
   M - matrix:
       0.000012   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
UB fit with 26 obs out of 107 (total:107,skipped:0) (24.30%)
   UB - matrix:
       0.002478   -0.000635    0.000369   (  0.000068    0.000003    0.000001 )
      -0.002265   -0.000589    0.000350   (  0.000053    0.000002    0.000001 )
       0.000530   -0.001037   -0.000411   (  0.000104    0.000004    0.000002 )
   M - matrix:
       0.000012   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
UB fit with 26 obs out of 107 (total:107,skipped:0) (24.30%)
   UB - matrix:
       0.002478   -0.000635    0.000369   (  0.000068    0.000003    0.000001 )
      -0.002265   -0.000589    0.000350   (  0.000053    0.000002    0.000001 )
       0.000530   -0.001037   -0.000411   (  0.000104    0.000004    0.000002 )
   M - matrix:
       0.000012   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
Primitive unit cell refinement
UB fit with 26 obs out of 107 (total:107,skipped:0) (24.30%)
   UB - matrix:
       0.002478   -0.000635    0.000369   (  0.000068    0.000003    0.000001 )
      -0.002265   -0.000589    0.000350   (  0.000053    0.000002    0.000001 )
       0.000530   -0.001037   -0.000411   (  0.000104    0.000004    0.000002 )
   M - matrix:
       0.000012   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
   UB - matrix:
       0.002478   -0.000635    0.000369   (  0.000068    0.000003    0.000001 )
      -0.002265   -0.000589    0.000350   (  0.000053    0.000002    0.000001 )
       0.000530   -0.001037   -0.000411   (  0.000104    0.000004    0.000002 )
   M - matrix:
       0.000012   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 26 obs out of 107 (total:107,skipped:0) (24.30%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 7 obs out of 75 (total:75,skipped:0) (9.33%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
AUTO INFO: Searching xy origin...

FINDCENTERHKLSHIFT INFO: starting x, y: 387.50, 192.50; start indexation (full peak table): 10.7%
FINDCENTERHKLSHIFT INFO: iteration 1/4, starting indexation (subset): 9.8%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.3%
FINDCENTERHKLSHIFT INFO: iteration 2/4, starting indexation (subset): 9.8%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.3%
 New detector origin: x=385.096 y=184.996 (12.5% indexed)
FINDCENTERHKLSHIFT INFO: iteration 3/4, starting indexation (subset): 12.5%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.3%
FINDCENTERHKLSHIFT INFO: iteration 4/4, starting indexation (subset): 12.8%
FINDCENTERHKLSHIFT INFO: UB matrix indexation and refinement (delta peak table): 24.3%
 New detector origin: x=385.096 y=184.996 (20.5% indexed)
FINDCENTERHKLSHIFT INFO: indexation on full set 4.0%; starting indexation 10.7%
FINDCENTERHKLSHIFT INFO: final x, y: 387.50, 192.50

? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 8 obs out of 75 (total:75,skipped:0) (10.67%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 8 obs out of 75 (total:75,skipped:0) (10.67%)
    unit cell:
       7.50(10) 18.9(2) 38.4(5)       
      89(1)     87(1)   80(1)   
      V = 5350(90) 
AUTO INFO: delta ttt finished successfully...
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:00 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:00 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: 319 peaks in the peak location table
319 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 14:00:00 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...
114 peak differences on 44 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 1726747200!
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: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02308
Make unit cell: 0.02595
Primitive unit cell refinement
UB fit with 22 obs out of 114 (total:114,skipped:0) (19.30%)
   UB - matrix:
       0.002646   -0.000632    0.000366   (  0.000071    0.000004    0.000001 )
      -0.002445   -0.000592    0.000353   (  0.000054    0.000003    0.000001 )
       0.000518   -0.001036   -0.000411   (  0.000094    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.99(9) 18.8(2) 38.4(5)       
      88.6(9)  87(1)   81(1)   
      V = 4989(80) 
   UB - matrix:
       0.002632   -0.000632    0.000366   (  0.000056    0.000004    0.000001 )
      -0.002482   -0.000593    0.000354   (  0.000044    0.000003    0.000001 )
       0.000436   -0.001036   -0.000409   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
UB fit with 24 obs out of 114 (total:114,skipped:0) (21.05%)
    unit cell:
       6.95(7) 18.75(17) 38.5(4)       
      88.6(8)  87.6(9)   82.4(9) 
      V = 4965(70) 
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 1726747200!
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: 79(sub) 79(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 79(sub) 79(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 12(sub) 18(all), aP(44, 0)    6.95    6.98    8.31  96.80  95.33 117.70 pr:    349.42, r:     349.42
Peak table: 79(sub) 79(all)
Best cell:    12 indexed, Niggli aP(44, 0):     6.95     6.98     8.31    96.80    95.33   117.70 prim:    349.42, red:     349.42
UM TTTSOLUTION  1:   2 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    18 indexed, Niggli aP(31, 0):     7.68     9.95    14.89    85.73    81.86    88.61 prim:   1122.93, red:    1122.93
UM TTTSOLUTION  1:   3 16(sub) 23(all), aP(44, 0)    6.75    8.36   13.69 103.45  93.69  91.80 pr:    749.15, r:     749.15
UM TTTSOLUTION  2:   4 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:   5 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  4:   6 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    16 indexed, Niggli aP(44, 0):     6.75     8.36    13.69   103.45    93.69    91.80 prim:    749.15, red:     749.15
UM TTTSOLUTION  1:   7 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  2:   8 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  3:   9 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  4:  10 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    14 indexed, Niggli aP(31, 0):     8.77    14.37    16.58    69.34    87.77    84.62 prim:   1947.58, red:    1947.58
UM TTTSOLUTION  1:  11 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  2:  12 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  3:  13 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  4:  14 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    14 indexed, Niggli aP(31, 0):     8.77    14.37    16.58    69.34    87.77    84.62 prim:   1947.58, red:    1947.58
UM TTTSOLUTION  1:  15 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  2:  16 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  3:  17 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  4:  18 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    14 indexed, Niggli aP(31, 0):     8.77    14.37    16.58    69.34    87.77    84.62 prim:   1947.58, red:    1947.58
UM TTTSOLUTION  1:  19 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  20 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  21 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  22 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  23 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  24 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  25 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  26 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  27 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  28 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  29 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  30 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  31 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  32 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  33 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  34 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  35 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  36 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  37 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  38 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  39 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  40 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  41 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  42 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  43 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  44 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  45 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  46 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  47 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  48 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  49 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  50 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  51 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  52 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  53 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  54 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  55 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  56 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  57 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  58 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  59 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  60 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  61 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  62 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  63 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
UM TTTSOLUTION  1:  64 19(sub) 30(all), aP(31, 0)    6.79   10.81   18.78  78.11  79.83  85.35 pr:   1326.30, r:    1326.30
UM TTTSOLUTION  2:  65 14(sub) 23(all), aP(31, 0)    8.77   14.37   16.58  69.34  87.77  84.62 pr:   1947.58, r:    1947.58
UM TTTSOLUTION  3:  66 18(sub) 19(all), aP(44, 0)    7.02    8.86   14.23 105.93  98.06 102.05 pr:    814.20, r:     814.20
UM TTTSOLUTION  4:  67 18(sub) 15(all), aP(31, 0)    7.48    9.65   14.36  79.29  88.84  74.39 pr:    981.09, r:     981.09
UM TTTSOLUTION  5:  68 18(sub) 15(all), aP(31, 0)    7.68    9.95   14.89  85.73  81.86  88.61 pr:   1122.93, r:    1122.93
Peak table: 79(sub) 79(all)
Best cell:    19 indexed, Niggli aP(31, 0):     6.79    10.81    18.78    78.11    79.83    85.35 prim:   1326.30, red:    1326.30
Make subset: 0.00001
Make T-vectors: 0.01901
Make unit cell: 0.15114
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 9 obs out of 79 (total:79,skipped:0) (11.39%)
   UB - matrix:
      -0.002280   -0.001757    0.000083   (  0.000056    0.000004    0.000001 )
       0.002925   -0.001572    0.000066   (  0.000044    0.000003    0.000001 )
      -0.000620   -0.000285    0.001381   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
UB fit with 9 obs out of 79 (total:79,skipped:0) (11.39%)
   UB - matrix:
      -0.002280   -0.001757    0.000083   (  0.000056    0.000004    0.000001 )
       0.002925   -0.001572    0.000066   (  0.000044    0.000003    0.000001 )
      -0.000620   -0.000285    0.001381   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
UB fit with 9 obs out of 79 (total:79,skipped:0) (11.39%)
   UB - matrix:
      -0.002280   -0.001757    0.000083   (  0.000056    0.000004    0.000001 )
       0.002925   -0.001572    0.000066   (  0.000044    0.000003    0.000001 )
      -0.000620   -0.000285    0.001381   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
Primitive unit cell refinement
UB fit with 9 obs out of 79 (total:79,skipped:0) (11.39%)
   UB - matrix:
      -0.002280   -0.001757    0.000083   (  0.000056    0.000004    0.000001 )
       0.002925   -0.001572    0.000066   (  0.000044    0.000003    0.000001 )
      -0.000620   -0.000285    0.001381   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 9 obs out of 79 (total:79,skipped:0) (11.39%)
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:00 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:00 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: 330 peaks in the peak location table
330 peak locations are merged to 81 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 81 unindexed peaks to the CrysAlis peak table (81 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:00 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...
114 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 1726747200!
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: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 114(sub) 114(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02324
Make unit cell: 0.03451
Primitive unit cell refinement
UB fit with 22 obs out of 114 (total:114,skipped:0) (19.30%)
   UB - matrix:
      -0.002280   -0.001757    0.000083   (  0.000056    0.000004    0.000001 )
       0.002925   -0.001572    0.000066   (  0.000044    0.000003    0.000001 )
      -0.000620   -0.000285    0.001381   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 22 obs out of 114 (total:114,skipped:0) (19.30%)
    unit cell:
       6.79(7) 10.81(11) 18.78(6)       
      78.1(9)  79.8(9)   85.3(8)  
      V = 1326(18) 
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 1726747201!
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: 81(sub) 81(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 81(sub) 81(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 81(sub) 81(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 81(sub) 81(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 81(sub) 81(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 81(sub) 81(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 15(sub) 22(all), aP(44, 0)    5.92    6.60   10.80 106.82  94.41  94.15 pr:    400.77, r:     400.77
UM TTTSOLUTION  2:   2 19(sub) 23(all), aP(44, 0)    6.52    7.32   10.71  97.77 105.89  91.61 pr:    485.82, r:     485.82
UM TTTSOLUTION  3:   3 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  4:   4 18(sub) 20(all), aP(31, 0)    6.47    8.56   10.71  79.68  74.53  89.14 pr:    562.02, r:     562.02
Peak table: 81(sub) 81(all)
Best cell:    15 indexed, Niggli aP(44, 0):     5.92     6.60    10.80   106.82    94.41    94.15 prim:    400.77, red:     400.77
UM TTTSOLUTION  1:   5 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  2:   6 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  3:   7 19(sub) 23(all), aP(44, 0)    6.52    7.32   10.71  97.77 105.89  91.61 pr:    485.82, r:     485.82
UM TTTSOLUTION  4:   8 18(sub) 20(all), aP(31, 0)    6.47    8.56   10.71  79.68  74.53  89.14 pr:    562.02, r:     562.02
Peak table: 81(sub) 81(all)
Best cell:    19 indexed, Niggli aP(44, 0):     6.55     6.74    10.66    99.19   105.42    91.49 prim:    446.37, red:     446.37
UM TTTSOLUTION  1:   9 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  2:  10 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  3:  11 19(sub) 23(all), aP(44, 0)    6.52    7.32   10.71  97.77 105.89  91.61 pr:    485.82, r:     485.82
UM TTTSOLUTION  4:  12 18(sub) 20(all), aP(31, 0)    6.47    8.56   10.71  79.68  74.53  89.14 pr:    562.02, r:     562.02
Peak table: 81(sub) 81(all)
Best cell:    19 indexed, Niggli aP(44, 0):     6.55     6.74    10.66    99.19   105.42    91.49 prim:    446.37, red:     446.37
UM TTTSOLUTION  1:  13 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  2:  14 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  3:  15 19(sub) 23(all), aP(44, 0)    6.52    7.32   10.71  97.77 105.89  91.61 pr:    485.82, r:     485.82
UM TTTSOLUTION  4:  16 18(sub) 20(all), aP(31, 0)    6.47    8.56   10.71  79.68  74.53  89.14 pr:    562.02, r:     562.02
Peak table: 81(sub) 81(all)
Best cell:    19 indexed, Niggli aP(44, 0):     6.55     6.74    10.66    99.19   105.42    91.49 prim:    446.37, red:     446.37
UM TTTSOLUTION  1:  17 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  2:  18 19(sub) 23(all), aP(44, 0)    6.55    6.74   10.66  99.19 105.42  91.49 pr:    446.37, r:     446.37
UM TTTSOLUTION  3:  19 19(sub) 23(all), aP(44, 0)    6.52    7.32   10.71  97.77 105.89  91.61 pr:    485.82, r:     485.82
UM TTTSOLUTION  4:  20 18(sub) 20(all), aP(31, 0)    6.47    8.56   10.71  79.68  74.53  89.14 pr:    562.02, r:     562.02
Peak table: 81(sub) 81(all)
Best cell:    19 indexed, Niggli aP(44, 0):     6.55     6.74    10.66    99.19   105.42    91.49 prim:    446.37, red:     446.37
Make subset: 0.00000
Make T-vectors: 0.01039
Make unit cell: 0.03724
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 9 obs out of 81 (total:81,skipped:0) (11.11%)
   UB - matrix:
      -0.001931   -0.002267    0.001027   (  0.000056    0.000004    0.000001 )
      -0.001753    0.002964    0.000891   (  0.000044    0.000003    0.000001 )
      -0.003012   -0.000631   -0.002075   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
UB fit with 9 obs out of 81 (total:81,skipped:0) (11.11%)
   UB - matrix:
      -0.001931   -0.002267    0.001027   (  0.000056    0.000004    0.000001 )
      -0.001753    0.002964    0.000891   (  0.000044    0.000003    0.000001 )
      -0.003012   -0.000631   -0.002075   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
UB fit with 9 obs out of 81 (total:81,skipped:0) (11.11%)
   UB - matrix:
      -0.001931   -0.002267    0.001027   (  0.000056    0.000004    0.000001 )
      -0.001753    0.002964    0.000891   (  0.000044    0.000003    0.000001 )
      -0.003012   -0.000631   -0.002075   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
Primitive unit cell refinement
UB fit with 9 obs out of 81 (total:81,skipped:0) (11.11%)
   UB - matrix:
      -0.001931   -0.002267    0.001027   (  0.000056    0.000004    0.000001 )
      -0.001753    0.002964    0.000891   (  0.000044    0.000003    0.000001 )
      -0.003012   -0.000631   -0.002075   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 9 obs out of 81 (total:81,skipped:0) (11.11%)
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:01 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:01 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: 338 peaks in the peak location table
338 peak locations are merged to 82 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 82 unindexed peaks to the CrysAlis peak table (82 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:01 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...
108 peak differences on 48 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 1726747201!
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: 0.00002
Make T-vectors: 0.02291
Make unit cell: 0.02634
Primitive unit cell refinement
UB fit with 8 obs out of 108 (total:108,skipped:0) (7.41%)
   UB - matrix:
      -0.001931   -0.002267    0.001027   (  0.000056    0.000004    0.000001 )
      -0.001753    0.002964    0.000891   (  0.000044    0.000003    0.000001 )
      -0.003012   -0.000631   -0.002075   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 8 obs out of 108 (total:108,skipped:0) (7.41%)
    unit cell:
       6.55(6)   6.74(5) 10.66(11)       
      99.2(7)  105.4(8)  91.5(7)   
      V = 446(7) 
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 1726747201!
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: 82(sub) 82(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 7(sub) 18(all), aP(31, 0)    6.93    8.64    9.71  63.88  76.30  67.46 pr:    480.71, r:     480.71
UM TTTSOLUTION  2:   2 7(sub) 15(all), aP(31, 0)    9.72   10.59   11.93  85.23  71.04  81.58 pr:   1148.47, r:    1148.47
Peak table: 82(sub) 82(all)
Best cell:     7 indexed, Niggli aP(31, 0):     6.93     8.64     9.71    63.88    76.30    67.46 prim:    480.71, red:     480.71
UM TTTSOLUTION  1:   3 7(sub) 18(all), aP(31, 0)    6.93    8.64    9.71  63.88  76.30  67.46 pr:    480.71, r:     480.71
UM TTTSOLUTION  2:   4 7(sub) 15(all), aP(31, 0)    9.72   10.59   11.93  85.23  71.04  81.58 pr:   1148.47, r:    1148.47
Peak table: 82(sub) 82(all)
Best cell:     7 indexed, Niggli aP(31, 0):     6.93     8.64     9.71    63.88    76.30    67.46 prim:    480.71, red:     480.71
UM TTTSOLUTION  1:   5 7(sub) 18(all), aP(31, 0)    6.93    8.64    9.71  63.88  76.30  67.46 pr:    480.71, r:     480.71
UM TTTSOLUTION  2:   6 7(sub) 15(all), aP(31, 0)    9.72   10.59   11.93  85.23  71.04  81.58 pr:   1148.47, r:    1148.47
Peak table: 82(sub) 82(all)
Best cell:     7 indexed, Niggli aP(31, 0):     6.93     8.64     9.71    63.88    76.30    67.46 prim:    480.71, red:     480.71
UM TTTSOLUTION  1:   7 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:   8 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:   9 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:  10 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  11 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:  12 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  13 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:  14 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
UM TTTSOLUTION  2:  15 13(sub) 24(all), aP(31, 0)    8.87   10.53   14.71  82.54  76.46  83.41 pr:   1320.23, r:    1320.23
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  16 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
UM TTTSOLUTION  2:  17 13(sub) 24(all), aP(31, 0)    8.87   10.53   14.71  82.54  76.46  83.41 pr:   1320.23, r:    1320.23
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
UM TTTSOLUTION  1:  18 19(sub) 24(all), aP(44, 0)    7.65    8.35   13.68 103.08  94.11  93.11 pr:    847.36, r:     847.36
UM TTTSOLUTION  2:  19 15(sub) 25(all), aP(44, 0)    8.13   10.83   14.53  98.04 100.88  90.81 pr:   1241.88, r:    1241.88
UM TTTSOLUTION  3:  20 16(sub) 25(all), aP(44, 0)    7.17   10.76   14.49  97.69 100.27  94.32 pr:   1084.82, r:    1084.82
Peak table: 82(sub) 82(all)
Best cell:    19 indexed, Niggli aP(44, 0):     7.65     8.35    13.68   103.08    94.11    93.11 prim:    847.36, red:     847.36
Make subset: 0.00000
Make T-vectors: 0.00761
Make unit cell: 0.04607
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 10 obs out of 82 (total:82,skipped:0) (12.20%)
   UB - matrix:
       0.002255    0.002144   -0.000238   (  0.000056    0.000004    0.000001 )
      -0.002383    0.001878   -0.000203   (  0.000044    0.000003    0.000001 )
       0.000317    0.001205    0.001864   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
UB fit with 10 obs out of 82 (total:82,skipped:0) (12.20%)
   UB - matrix:
       0.002255    0.002144   -0.000238   (  0.000056    0.000004    0.000001 )
      -0.002383    0.001878   -0.000203   (  0.000044    0.000003    0.000001 )
       0.000317    0.001205    0.001864   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
UB fit with 10 obs out of 82 (total:82,skipped:0) (12.20%)
   UB - matrix:
       0.002255    0.002144   -0.000238   (  0.000056    0.000004    0.000001 )
      -0.002383    0.001878   -0.000203   (  0.000044    0.000003    0.000001 )
       0.000317    0.001205    0.001864   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
Primitive unit cell refinement
UB fit with 10 obs out of 82 (total:82,skipped:0) (12.20%)
   UB - matrix:
       0.002255    0.002144   -0.000238   (  0.000056    0.000004    0.000001 )
      -0.002383    0.001878   -0.000203   (  0.000044    0.000003    0.000001 )
       0.000317    0.001205    0.001864   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 10 obs out of 82 (total:82,skipped:0) (12.20%)
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:01 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:01 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: 343 peaks in the peak location table
343 peak locations are merged to 84 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 84 unindexed peaks to the CrysAlis peak table (84 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:01 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...
110 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 1726747201!
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: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02248
Make unit cell: 0.02579
Primitive unit cell refinement
UB fit with 10 obs out of 110 (total:110,skipped:0) (9.09%)
   UB - matrix:
       0.002255    0.002144   -0.000238   (  0.000056    0.000004    0.000001 )
      -0.002383    0.001878   -0.000203   (  0.000044    0.000003    0.000001 )
       0.000317    0.001205    0.001864   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000002   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 10 obs out of 110 (total:110,skipped:0) (9.09%)
    unit cell:
        7.65(8)  8.35(9) 13.68(9)       
      103(1)    94.1(10) 93.1(9)  
      V = 847(13) 
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 1726747201!
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: 84(sub) 84(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 84(sub) 84(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 20(sub) 29(all), aP(31, 0)    7.48   10.69   18.72  78.35  80.18  84.10 pr:   1442.16, r:    1442.16
Peak table: 84(sub) 84(all)
Best cell:    20 indexed, Niggli aP(31, 0):     7.48    10.69    18.72    78.35    80.18    84.10 prim:   1442.16, red:    1442.16
UM TTTSOLUTION  1:   2 20(sub) 29(all), aP(31, 0)    7.48   10.69   18.72  78.35  80.18  84.10 pr:   1442.16, r:    1442.16
Peak table: 84(sub) 84(all)
Best cell:    20 indexed, Niggli aP(31, 0):     7.48    10.69    18.72    78.35    80.18    84.10 prim:   1442.16, red:    1442.16
Make subset: 0.00001
Make T-vectors: 0.02190
Make unit cell: 0.03549
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 11 obs out of 84 (total:84,skipped:0) (13.10%)
   UB - matrix:
      -0.001998   -0.001785    0.000078   (  0.000056    0.000004    0.000001 )
       0.002714   -0.001583    0.000063   (  0.000044    0.000003    0.000001 )
      -0.000537   -0.000280    0.001382   (  0.000080    0.000005    0.000001 )
   M - matrix:
       0.000013    0.000000   -0.000001   (  0.000002    0.000001    0.000001 )
       0.000000    0.000006   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000001   -0.000001    0.000002   (  0.000001    0.000001    0.000000 )
    unit cell:
       7.1(5) 10.6(6) 20(1)       
      73(12)  74(12)  87(5) 
      V = 1362(120) 
UB fit with 11 obs out of 84 (total:84,skipped:0) (13.10%)
   UB - matrix:
      -0.002108   -0.001898    0.000087   (  0.000072    0.000046    0.000003 )
       0.002847   -0.001507    0.000033   (  0.000302    0.000191    0.000011 )
      -0.000902   -0.000580    0.001381   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000013    0.000000   -0.000001   (  0.000002    0.000001    0.000001 )
       0.000000    0.000006   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000001   -0.000001    0.000002   (  0.000001    0.000001    0.000000 )
    unit cell:
       7.1(5) 10.6(6) 20(1)       
      73(12)  74(12)  87(5) 
      V = 1362(120) 
UB fit with 12 obs out of 84 (total:84,skipped:0) (14.29%)
   UB - matrix:
      -0.002108   -0.001898    0.000087   (  0.000072    0.000046    0.000003 )
       0.002847   -0.001507    0.000033   (  0.000302    0.000191    0.000011 )
      -0.000902   -0.000580    0.001381   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000009    0.000001   -0.000002   (  0.000001    0.000001    0.000001 )
       0.000001    0.000009   -0.000001   (  0.000001    0.000001    0.000000 )
      -0.000002   -0.000001    0.000002   (  0.000001    0.000000    0.000000 )
    unit cell:
       8.9(5)  8.9(5) 21(1)       
      74(7)   67(7)   89(5) 
      V = 1445(110) 
Primitive unit cell refinement
UB fit with 11 obs out of 84 (total:84,skipped:0) (13.10%)
   UB - matrix:
      -0.001998   -0.001785    0.000078   (  0.000072    0.000046    0.000003 )
       0.002714   -0.001583    0.000063   (  0.000302    0.000191    0.000011 )
      -0.000537   -0.000280    0.001382   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000013    0.000000   -0.000001   (  0.000002    0.000001    0.000001 )
       0.000000    0.000006   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000001   -0.000001    0.000002   (  0.000001    0.000001    0.000000 )
    unit cell:
       7.1(5) 10.6(6) 20(1)       
      73(12)  74(12)  87(5) 
      V = 1362(120) 
   UB - matrix:
      -0.002108   -0.001898    0.000087   (  0.000072    0.000046    0.000003 )
       0.002847   -0.001507    0.000033   (  0.000302    0.000191    0.000011 )
      -0.000902   -0.000580    0.001381   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000013    0.000000   -0.000001   (  0.000002    0.000001    0.000001 )
       0.000000    0.000006   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000001   -0.000001    0.000002   (  0.000001    0.000001    0.000000 )
UB fit with 12 obs out of 84 (total:84,skipped:0) (14.29%)
    unit cell:
       7.1(5) 10.6(6) 20(1)       
      73(12)  74(12)  87(5) 
      V = 1362(120) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:02 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:02 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: 366 peaks in the peak location table
366 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 14:00:02 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...
159 peak differences on 51 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 1726747202!
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: 159(sub) 159(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 159(sub) 159(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.03792
Make unit cell: 0.02983
Primitive unit cell refinement
UB fit with 28 obs out of 159 (total:159,skipped:0) (17.61%)
   UB - matrix:
      -0.001998   -0.001785    0.000078   (  0.000072    0.000046    0.000003 )
       0.002714   -0.001583    0.000063   (  0.000302    0.000191    0.000011 )
      -0.000537   -0.000280    0.001382   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000013    0.000000   -0.000001   (  0.000002    0.000001    0.000001 )
       0.000000    0.000006   -0.000001   (  0.000001    0.000001    0.000001 )
      -0.000001   -0.000001    0.000002   (  0.000001    0.000001    0.000000 )
    unit cell:
       7.5(5) 10.7(6) 18.7(9)       
      78(13)  80(12)  84(5)   
      V = 1442(120) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 28 obs out of 159 (total:159,skipped:0) (17.61%)
    unit cell:
       7.5(5) 10.7(6) 18.7(9)       
      78(13)  80(12)  84(5)   
      V = 1442(120) 
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 1726747202!
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: 95(sub) 95(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 95(sub) 95(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03083
Make unit cell: 0.02512
   UB - matrix:
      -0.001998   -0.001785    0.000078   (  0.000072    0.000046    0.000003 )
       0.002714   -0.001583    0.000063   (  0.000302    0.000191    0.000011 )
      -0.000537   -0.000280    0.001382   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000010   -0.000001   -0.000000   (  0.000000    0.000000    0.000000 )
      -0.000001    0.000006   -0.000001   (  0.000000    0.000000    0.000000 )
      -0.000000   -0.000001    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 13 obs out of 95 (total:95,skipped:0) (13.68%)
    unit cell:
       7.98(13) 10.34(18) 18.5(3)       
      78(2)     82(2)     82(1)   
      V = 1474(40) 
AUTO INFO: Dirax ended...
AUTO INFO: Restoring previously found cell...
AUTO INFO: Confirming unit cell...
? illegal lattice constant (pCalcLatticeODX_CRY case ODX_CRY_CALCLATTICE_METRIC)
UB fit with 11 obs out of 95 (total:95,skipped:0) (11.58%)
    unit cell:
      1461(17) 3628(6) 1689(3)       
        78(2)    82(2)   82(1) 
      V = -0(40) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:02 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:02 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: 382 peaks in the peak location table
382 peak locations are merged to 98 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 98 unindexed peaks to the CrysAlis peak table (98 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:02 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...
156 peak differences on 53 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 1726747202!
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: 0.05718
Make unit cell: 0.04288
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 1726747203!
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: 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)!
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 good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 98(sub) 98(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.02960
Make unit cell: 0.04099
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000072    0.000046    0.000003 )
       0.000000    0.025000    0.000000   (  0.000302    0.000191    0.000011 )
       0.000000    0.000000    0.025000   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000004    0.000008    0.000019 )
       0.000000    0.000625    0.000000   (  0.000008    0.000010    0.000012 )
       0.000000    0.000000    0.000625   (  0.000019    0.000012    0.000001 )
UB fit with 11 obs out of 98 (total:98,skipped:0) (11.22%)
    unit cell:
       1.004(3)  1.004(8)  1.0040(12)       
      90(1)     90(2)     90.0(7)     
      V = 1.012(8) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:03 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:03 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: 398 peaks in the peak location table
398 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 14:00:03 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...
154 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 1726747203!
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: 0.00003
Make T-vectors: 0.03736
Make unit cell: 0.02917
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 1726747203!
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: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03051
Make unit cell: 0.03450
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000072    0.000046    0.000003 )
       0.000000    0.025000    0.000000   (  0.000302    0.000191    0.000011 )
       0.000000    0.000000    0.025000   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000004    0.000008    0.000019 )
       0.000000    0.000625    0.000000   (  0.000008    0.000010    0.000012 )
       0.000000    0.000000    0.000625   (  0.000019    0.000012    0.000001 )
UB fit with 11 obs out of 101 (total:101,skipped:0) (10.89%)
    unit cell:
       1.004(3)  1.004(8)  1.0040(12)       
      90(1)     90(2)     90.0(7)     
      V = 1.012(8) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:03 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:03 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: 405 peaks in the peak location table
405 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 14:00:03 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 56 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 1726747203!
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: 0.03672
Make unit cell: 0.03806
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 1726747203!
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: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 101(sub) 101(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03018
Make unit cell: 0.02527
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000072    0.000046    0.000003 )
       0.000000    0.025000    0.000000   (  0.000302    0.000191    0.000011 )
       0.000000    0.000000    0.025000   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000004    0.000008    0.000019 )
       0.000000    0.000625    0.000000   (  0.000008    0.000010    0.000012 )
       0.000000    0.000000    0.000625   (  0.000019    0.000012    0.000001 )
UB fit with 11 obs out of 101 (total:101,skipped:0) (10.89%)
    unit cell:
       1.004(3)  1.004(8)  1.0040(12)       
      90(1)     90(2)     90.0(7)     
      V = 1.012(8) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:03 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:03 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: 413 peaks in the peak location table
413 peak locations are merged to 104 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 104 unindexed peaks to the CrysAlis peak table (104 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:03 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...
152 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 1726747203!
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: 152(sub) 152(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 152(sub) 152(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.03739
Make unit cell: 0.03681
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 1726747203!
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: 104(sub) 104(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 104(sub) 104(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03224
Make unit cell: 0.03410
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.000072    0.000046    0.000003 )
       0.000000    0.025000    0.000000   (  0.000302    0.000191    0.000011 )
       0.000000    0.000000    0.025000   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000004    0.000008    0.000019 )
       0.000000    0.000625    0.000000   (  0.000008    0.000010    0.000012 )
       0.000000    0.000000    0.000625   (  0.000019    0.000012    0.000001 )
UB fit with 11 obs out of 104 (total:104,skipped:0) (10.58%)
    unit cell:
       1.004(3)  1.004(8)  1.0040(12)       
      90(1)     90(2)     90.0(7)     
      V = 1.012(8) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:04 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:04 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: 425 peaks in the peak location table
425 peak locations are merged to 109 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 109 unindexed peaks to the CrysAlis peak table (109 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:04 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...
156 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 1726747204!
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: 0.00003
Make T-vectors: 0.04118
Make unit cell: 0.03828
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 1726747204!
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: 109(sub) 109(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 109(sub) 109(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 109(sub) 109(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 109(sub) 109(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 109(sub) 109(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
UM TTTSOLUTION  1:   2 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
UM TTTSOLUTION  1:   3 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
UM TTTSOLUTION  1:   4 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   5 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
UM TTTSOLUTION  1:   6 3(sub) 26(all), aP(44, 0)    3.22    3.44    9.52  90.28  94.43 110.18 pr:     98.52, r:      98.52
Peak table: 109(sub) 109(all)
Best cell:     3 indexed, Niggli aP(44, 0):     3.22     3.44     9.52    90.28    94.43   110.18 prim:     98.52, red:      98.52
Make subset: 0.00001
Make T-vectors: 0.01334
Make unit cell: 0.02036
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 14 obs out of 109 (total:109,skipped:0) (12.84%)
   UB - matrix:
       0.001343    0.005856    0.001759   (  0.000072    0.000046    0.000003 )
       0.005165   -0.002630    0.001499   (  0.000302    0.000191    0.000011 )
       0.006410    0.004401   -0.001287   (  0.000762    0.000482    0.000029 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
    unit cell:
       1.71(13)  3.9(2)   9.6(6)       
      83(5)     78(6)   107(6)   
      V = 59(7) 
UB fit with 14 obs out of 109 (total:109,skipped:0) (12.84%)
   UB - matrix:
       0.005190    0.005121    0.001278   (  0.001078    0.000238    0.000143 )
       0.007718   -0.003562    0.001180   (  0.001359    0.000300    0.000181 )
       0.012892    0.002883   -0.002097   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
    unit cell:
       1.71(13)  3.9(2)   9.6(6)       
      83(5)     78(6)   107(6)   
      V = 59(7) 
UB fit with 26 obs out of 109 (total:109,skipped:0) (23.85%)
   UB - matrix:
       0.005190    0.005121    0.001278   (  0.001078    0.000238    0.000143 )
       0.007718   -0.003562    0.001180   (  0.001359    0.000300    0.000181 )
       0.012892    0.002883   -0.002097   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000256    0.000038   -0.000011   (  0.000016    0.000008    0.000002 )
       0.000038    0.000043   -0.000004   (  0.000008    0.000005    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000002    0.000001    0.000000 )
    unit cell:
       1.72(8)  4.15(16)   9.7(4)       
      83(4)    78(4)     109(4)   
      V = 63(4) 
UM TTT INFO: Volume check skipped as axes <=2A (1.7223,4.1502,9.7280)
Primitive unit cell refinement
UB fit with 14 obs out of 109 (total:109,skipped:0) (12.84%)
   UB - matrix:
       0.001343    0.005856    0.001759   (  0.001078    0.000238    0.000143 )
       0.005165   -0.002630    0.001499   (  0.001359    0.000300    0.000181 )
       0.006410    0.004401   -0.001287   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
    unit cell:
       1.71(13)  3.9(2)   9.6(6)       
      83(5)     78(6)   107(6)   
      V = 59(7) 
   UB - matrix:
       0.005190    0.005121    0.001278   (  0.001078    0.000238    0.000143 )
       0.007718   -0.003562    0.001180   (  0.001359    0.000300    0.000181 )
       0.012892    0.002883   -0.002097   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
UB fit with 26 obs out of 109 (total:109,skipped:0) (23.85%)
    unit cell:
       1.71(13)  3.9(2)   9.6(6)       
      83(5)     78(6)   107(6)   
      V = 59(7) 
AUTO INFO: Dirax ended...
Writing tabbin file: "D:\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7302\exp_7302_peakhunt"

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:04 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:04 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: 428 peaks in the peak location table
428 peak locations are merged to 110 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 110 unindexed peaks to the CrysAlis peak table (110 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:04 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...
156 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 1726747204!
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: 0.00005
Make T-vectors: 0.05190
Make unit cell: 0.04391
Primitive unit cell refinement
UB fit with 4 obs out of 156 (total:156,skipped:0) (2.56%)
   UB - matrix:
       0.001343    0.005856    0.001759   (  0.001078    0.000238    0.000143 )
       0.005165   -0.002630    0.001499   (  0.001359    0.000300    0.000181 )
       0.006410    0.004401   -0.001287   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
    unit cell:
       3.2(4)  3.4(3)   9.5(9)       
      90(7)   94(9)   110(10)  
      V = 99(18) 
? singular matrix (pChInv2ODX_CRY in module CRY)
UB fit with 4 obs out of 156 (total:156,skipped:0) (2.56%)
    unit cell:
       3.2(4)  3.4(3)   9.5(9)       
      90(7)   94(9)   110(10)  
      V = 99(18) 
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 1726747205!
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: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 110(sub) 110(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03806
Make unit cell: 0.02663
   UB - matrix:
       0.001343    0.005856    0.001759   (  0.001078    0.000238    0.000143 )
       0.005165   -0.002630    0.001499   (  0.001359    0.000300    0.000181 )
       0.006410    0.004401   -0.001287   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000253    0.000036   -0.000011   (  0.000040    0.000009    0.000004 )
       0.000036    0.000047   -0.000004   (  0.000009    0.000004    0.000001 )
      -0.000011   -0.000004    0.000007   (  0.000004    0.000001    0.000001 )
UB fit with 10 obs out of 110 (total:110,skipped:0) (9.09%)
    unit cell:
       3.2(4)  3.4(3)   9.5(9)       
      90(7)   94(9)   110(10)  
      V = 99(18) 
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 10 obs out of 110 (total:110,skipped:0) (9.09%)
    unit cell:
       1.71(13)  3.9(2)   9.6(6)       
      83(5)     78(6)   107(6)   
      V = 59(7) 

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:05 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:05 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: 440 peaks in the peak location table
440 peak locations are merged to 118 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 118 unindexed peaks to the CrysAlis peak table (118 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:05 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...
180 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 1726747205!
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)!
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)!
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)!
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)!
Make subset: 0.00004
Make T-vectors: 0.05025
Make unit cell: 0.03171
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 1726747205!
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: 118(sub) 118(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 118(sub) 118(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.03894
Make unit cell: 0.02710
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 12 obs out of 118 (total:118,skipped:0) (10.17%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:05 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:06 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: 462 peaks in the peak location table
462 peak locations are merged to 122 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 122 unindexed peaks to the CrysAlis peak table (122 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:06 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...
186 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 1726747206!
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: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.05329
Make unit cell: 0.03276
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 1726747206!
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)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 122(sub) 122(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.04075
Make unit cell: 0.02701
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 12 obs out of 122 (total:122,skipped:0) (9.84%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:06 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:06 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: 469 peaks in the peak location table
469 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 14:00:06 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...
186 peak differences on 66 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 1726747206!
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: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.05252
Make unit cell: 0.03304
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 1726747206!
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: 0.00002
Make T-vectors: 0.04062
Make unit cell: 0.03621
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 12 obs out of 124 (total:124,skipped:0) (9.68%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:06 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:06 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: 474 peaks in the peak location table
474 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 14:00:06 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...
186 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 1726747206!
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: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 186(sub) 186(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.05292
Make unit cell: 0.04155
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 1726747206!
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: 0.00002
Make T-vectors: 0.04210
Make unit cell: 0.03616
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 13 obs out of 125 (total:125,skipped:0) (10.40%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:07 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:07 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: 482 peaks in the peak location table
482 peak locations are merged to 127 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 127 unindexed peaks to the CrysAlis peak table (127 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:07 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...
188 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 1726747207!
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: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06176
Make unit cell: 0.04406
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 1726747207!
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: 127(sub) 127(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 127(sub) 127(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.04329
Make unit cell: 0.02814
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 13 obs out of 127 (total:127,skipped:0) (10.24%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:07 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:07 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: 488 peaks in the peak location table
488 peak locations are merged to 128 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 128 unindexed peaks to the CrysAlis peak table (128 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:08 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...
188 peak differences on 69 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 1726747208!
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: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 188(sub) 188(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06435
Make unit cell: 0.06158
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 1726747208!
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: 128(sub) 128(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 128(sub) 128(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00002
Make T-vectors: 0.04441
Make unit cell: 0.02911
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 13 obs out of 128 (total:128,skipped:0) (10.16%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:08 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:08 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: 500 peaks in the peak location table
500 peak locations are merged to 134 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 134 unindexed peaks to the CrysAlis peak table (134 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:08 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...
210 peak differences on 70 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 1726747208!
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: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.07144
Make unit cell: 0.04449
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 1726747208!
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: 134(sub) 134(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 134(sub) 134(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.04839
Make unit cell: 0.05403
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 13 obs out of 134 (total:134,skipped:0) (9.70%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:08 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:08 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: 511 peaks in the peak location table
511 peak locations are merged to 137 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 137 unindexed peaks to the CrysAlis peak table (137 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:08 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...
216 peak differences on 71 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 1726747208!
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: 216(sub) 216(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 216(sub) 216(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06365
Make unit cell: 0.03527
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 1726747208!
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: 137(sub) 137(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 137(sub) 137(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.04669
Make unit cell: 0.03877
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 14 obs out of 137 (total:137,skipped:0) (10.22%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:09 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:09 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: 522 peaks in the peak location table
522 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 14:00:09 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...
204 peak differences on 73 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 1726747209!
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: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06162
Make unit cell: 0.03991
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 1726747209!
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)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 138(sub) 138(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.04819
Make unit cell: 0.04360
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 14 obs out of 138 (total:138,skipped:0) (10.14%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:09 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:09 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: 533 peaks in the peak location table
533 peak locations are merged to 140 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 140 unindexed peaks to the CrysAlis peak table (140 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:09 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...
206 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 1726747209!
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: 0.00005
Make T-vectors: 0.07073
Make unit cell: 0.05418
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 1726747210!
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: 140(sub) 140(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 140(sub) 140(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.05280
Make unit cell: 0.04733
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 14 obs out of 140 (total:140,skipped:0) (10.00%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:10 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:10 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: 548 peaks in the peak location table
548 peak locations are merged to 142 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 142 unindexed peaks to the CrysAlis peak table (142 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:10 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...
204 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 1726747210!
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: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 204(sub) 204(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06240
Make unit cell: 0.04397
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 1726747210!
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: 142(sub) 142(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 142(sub) 142(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.04985
Make unit cell: 0.02920
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 14 obs out of 142 (total:142,skipped:0) (9.86%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:10 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:11 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: 564 peaks in the peak location table
564 peak locations are merged to 146 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 146 unindexed peaks to the CrysAlis peak table (146 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:11 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...
208 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 1726747211!
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: 208(sub) 208(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 208(sub) 208(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06185
Make unit cell: 0.03501
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 1726747211!
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: 0.06096
Make unit cell: 0.04731
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 15 obs out of 146 (total:146,skipped:0) (10.27%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:11 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:11 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: 575 peaks in the peak location table
575 peak locations are merged to 148 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 148 unindexed peaks to the CrysAlis peak table (148 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:11 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...
210 peak differences on 80 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 1726747211!
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: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06428
Make unit cell: 0.04145
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 1726747211!
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: 0.05603
Make unit cell: 0.03028
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 15 obs out of 148 (total:148,skipped:0) (10.14%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:11 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:11 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: 581 peaks in the peak location table
581 peak locations are merged to 149 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 149 unindexed peaks to the CrysAlis peak table (149 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:11 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...
210 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 1726747211!
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: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00005
Make T-vectors: 0.07583
Make unit cell: 0.05297
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 1726747212!
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: 149(sub) 149(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 149(sub) 149(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.05729
Make unit cell: 0.04952
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 15 obs out of 149 (total:149,skipped:0) (10.07%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:12 2024)
*******************************************************************************************************

Bravais lattice type: P

*******************************************************************************************************
		Auto analyse stage: PEAK HUNTING (Thu Sep 19 14:00:12 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: 593 peaks in the peak location table
593 peak locations are merged to 151 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 151 unindexed peaks to the CrysAlis peak table (151 with profile info)


*******************************************************************************************************
		Auto analyse stage: CELL FINDING (Thu Sep 19 14:00:12 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...
210 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 1726747212!
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: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 210(sub) 210(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00004
Make T-vectors: 0.06207
Make unit cell: 0.03507
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 1726747212!
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: 151(sub) 151(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 151(sub) 151(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Make subset: 0.00003
Make T-vectors: 0.05692
Make unit cell: 0.03685
   UB - matrix:
       0.025000    0.000000    0.000000   (  0.001078    0.000238    0.000143 )
       0.000000    0.025000    0.000000   (  0.001359    0.000300    0.000181 )
       0.000000    0.000000    0.025000   (  0.001266    0.000279    0.000168 )
   M - matrix:
       0.000625    0.000000    0.000000   (  0.000054    0.000034    0.000032 )
       0.000000    0.000625    0.000000   (  0.000034    0.000015    0.000008 )
       0.000000    0.000000    0.000625   (  0.000032    0.000008    0.000008 )
UB fit with 15 obs out of 151 (total:151,skipped:0) (9.93%)
    unit cell:
       1.00(4)  1.004(12)  1.004(7)       
      90.0(8)  90(3)      90(3)     
      V = 1.01(5) 
AUTO INFO: Dirax ended...

*******************************************************************************************************
		Auto analyse stage: BRAVAIS LATTICE FINDING (Thu Sep 19 14:00:12 2024)
*******************************************************************************************************

Bravais lattice type: P
PRO INFO: User interrupt from dialog (Thu Sep 19 14:00:39 2024)
FATAL AUTO ERROR: user interrupt! (iupdaterunlistautoanal)
593 peak locations are merged to 151 profiles (Parameters: ofix =   2.00, otan(th) =   0.00)
We have put 151 unindexed peaks to the CrysAlis peak table (151 with profile info)

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

  ?

	9.934 %(15/151)

  cell not found
------------------------------------------------------------
AUTO INFO: Finished with user interrupt at Thu Sep 19 14:00:40 2024
