Your current setup file is: \\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301.par
 
Goniometer type: KM4 (km4gonio.xdll)
Your current setup file is: \\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301.par

WINDOWS INFORMATION: (44.76a 64-bit (release 17-10-2024))
System version: WINDOWS 10, Build: 19045
Screen resolution:1920x1080 (Primary screen); Fonts: 96; Color: 32 bits; monitors: 1

HYPIX CAMERA INTERFACE
ABS INFO: Face list (0 faces) imported from \\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301.CAP_shape
Reading tabbin file: "\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301_peakhunt"
   No constraint
   UB - matrix:
      -0.000368    0.002868    0.000617   (  0.000008    0.000010    0.000003 )
      -0.003416   -0.000940    0.000356   (  0.000012    0.000016    0.000005 )
       0.001660   -0.001297    0.001102   (  0.000006    0.000009    0.000002 )
   M - matrix:
       0.000015    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000011    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.000368    0.002868    0.000617   (  0.000008    0.000010    0.000003 )
      -0.003416   -0.000940    0.000356   (  0.000012    0.000016    0.000005 )
       0.001660   -0.001297    0.001102   (  0.000006    0.000009    0.000002 )
   M - matrix:
       0.000015    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000011    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 78 obs out of 2919 (total:2919,skipped:0) (2.67%)
    unit cell:
       6.60(2)  7.64(2) 19.18(5)       
      90.1(2)  94.4(2)  90.0(3)  
      V = 964(5) 
    unit cell:
       6.589(19)  7.64(4) 19.23(7)       
      90.0       94.7(2)  90.0     
      V = 964(7) 
MICROED/3DED INFO: microED-frames-digest is valid (license:1)!
MICROEDUTIL_CAP: MicroED license key expires in 3112 days (Mon May 16 11:46:45 2033)!
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1730972818!
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
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
UM TTTSOLUTION  1:   1 10(sub) 79(all), mC(10, 2)    6.98    4.45   17.14  90.48  91.07  90.10 pr:    266.23, r:     532.45
Peak table: 500(sub) 2919(all)
Best cell:    10 indexed, Niggli mC(10, 2):     6.98     4.45    17.14    90.48    91.07    90.10 prim:    266.23, red:     532.45
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   2 19(sub) 112(all), aP(31, 0)    2.26    3.31    3.39  86.42  78.78  75.76 pr:     24.09, r:      24.09
UM TTTSOLUTION  2:   3 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  3:   4 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    19 indexed, Niggli aP(31, 0):     2.26     3.31     3.39    86.42    78.78    75.76 prim:     24.09, red:      24.09
UM TTTSOLUTION  1:   5 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:   6 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:   7 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:   8 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTTSOLUTION  1:   9 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  10 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  11 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  12 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTTSOLUTION  1:  13 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  14 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  15 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  16 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTTSOLUTION  1:  17 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  18 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  19 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  20 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  21 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  22 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  23 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  24 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTTSOLUTION  1:  25 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  26 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  27 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  28 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTT INFO: No solution > 70% found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:  29 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  30 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  31 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  32 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
UM TTTSOLUTION  1:  33 21(sub) 105(all), aP(44, 0)    2.24    3.32    4.19  93.04  90.36 102.46 pr:     30.42, r:      30.42
UM TTTSOLUTION  2:  34 23(sub) 110(all), aP(44, 0)    2.48    3.44    4.90 103.40  97.34  95.57 pr:     40.00, r:      40.00
UM TTTSOLUTION  3:  35 21(sub) 106(all), aP(31, 0)    2.68    3.49    3.69  82.12  85.53  89.12 pr:     34.16, r:      34.16
UM TTTSOLUTION  4:  36 19(sub) 92(all), aP(44, 0)    2.05    2.46    2.64 109.89  97.54  95.84 pr:     12.22, r:      12.22
Peak table: 500(sub) 2919(all)
Best cell:    21 indexed, Niggli aP(44, 0):     2.24     3.32     4.19    93.04    90.36   102.46 prim:     30.42, red:      30.42
Make subset: 0.00032
Make T-vectors: 0.04980
Make unit cell: 0.14348
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 103 obs out of 2919 (total:2919,skipped:0) (3.53%)
   UB - matrix:
       0.001186   -0.006083   -0.003562   (  0.000008    0.000010    0.000003 )
       0.004367    0.004771   -0.004254   (  0.000012    0.000016    0.000005 )
       0.010544    0.000533    0.002281   (  0.000006    0.000009    0.000002 )
   M - matrix:
       0.000131    0.000017    0.000000   (  0.000002    0.000002    0.000001 )
       0.000017    0.000058    0.000002   (  0.000002    0.000001    0.000001 )
       0.000000    0.000002    0.000036   (  0.000001    0.000001    0.000000 )
    unit cell:
       2.24(2)  3.36(3)   4.22(4)       
      92.9(8)  89.5(8)  101.5(9)  
      V = 31.1(5) 
UB fit with 103 obs out of 2919 (total:2919,skipped:0) (3.53%)
   UB - matrix:
       0.001141   -0.006026   -0.003553   (  0.000047    0.000070    0.000026 )
       0.004382    0.004673   -0.004262   (  0.000069    0.000102    0.000039 )
       0.010493    0.000366    0.002173   (  0.000092    0.000136    0.000051 )
   M - matrix:
       0.000131    0.000017    0.000000   (  0.000002    0.000002    0.000001 )
       0.000017    0.000058    0.000002   (  0.000002    0.000001    0.000001 )
       0.000000    0.000002    0.000036   (  0.000001    0.000001    0.000000 )
    unit cell:
       2.24(2)  3.36(3)   4.22(4)       
      92.9(8)  89.5(8)  101.5(9)  
      V = 31.1(5) 
UB fit with 105 obs out of 2919 (total:2919,skipped:0) (3.60%)
   UB - matrix:
       0.001135   -0.006007   -0.003545   (  0.000049    0.000070    0.000026 )
       0.004378    0.004700   -0.004251   (  0.000071    0.000102    0.000038 )
       0.010500    0.000426    0.002152   (  0.000093    0.000133    0.000049 )
   M - matrix:
       0.000131    0.000018   -0.000000   (  0.000002    0.000002    0.000001 )
       0.000018    0.000058    0.000002   (  0.000002    0.000001    0.000001 )
      -0.000000    0.000002    0.000035   (  0.000001    0.000001    0.000000 )
    unit cell:
       2.25(2)  3.36(3)   4.23(4)       
      92.9(8)  89.4(8)  102.1(9)  
      V = 31.2(5) 
UM TTT INFO: Primitive unit cell refinement unsuccessful
Primitive unit cell refinement
UB fit with 103 obs out of 2919 (total:2919,skipped:0) (3.53%)
   UB - matrix:
       0.001141   -0.006026   -0.003553   (  0.000047    0.000070    0.000026 )
       0.004382    0.004673   -0.004262   (  0.000069    0.000102    0.000039 )
       0.010493    0.000366    0.002173   (  0.000092    0.000136    0.000051 )
   M - matrix:
       0.000131    0.000017    0.000000   (  0.000002    0.000002    0.000001 )
       0.000017    0.000058    0.000002   (  0.000002    0.000001    0.000001 )
       0.000000    0.000002    0.000036   (  0.000001    0.000001    0.000000 )
    unit cell:
       2.24(2)  3.36(3)   4.22(4)       
      92.9(8)  89.5(8)  101.5(9)  
      V = 31.1(5) 
   UB - matrix:
      -0.001135   -0.006007    0.003545   (  0.000049    0.000070    0.000026 )
      -0.004378    0.004700    0.004251   (  0.000071    0.000102    0.000038 )
      -0.010500    0.000426   -0.002152   (  0.000093    0.000133    0.000049 )
   M - matrix:
       0.000131   -0.000018   -0.000000   (  0.000002    0.000002    0.000001 )
      -0.000018    0.000058   -0.000002   (  0.000002    0.000001    0.000001 )
      -0.000000   -0.000002    0.000035   (  0.000001    0.000001    0.000000 )
UB fit with 101 obs out of 2919 (total:2919,skipped:0) (3.46%)
    unit cell:
       2.25(2)  3.36(3)  4.23(4)       
      87.1(8)  89.4(8)  77.9(9)  
      V = 31.2(5) 
um TTT end at 0.655287 seconds
UM TTT - Duisenberg-like algorithm lattice finding - Rigaku Oxford Diffraction 2004-2024 (version: 1.6)

UM TTT INFO: random number seed 1730972820!
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
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No solution found from initial t-vectors: increasing number of t-vectors (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
Peak table: 500(sub) 2919(all)
UM TTT INFO: No good solution found... trying new subset (iokcomputedirax)!
UM TTTSOLUTION  1:   1 69(sub) 373(all), aP(44, 0)    6.58    7.46   10.47 109.61 106.76  90.31 pr:    460.40, r:     460.40
Peak table: 500(sub) 2919(all)
Best cell:    69 indexed, Niggli aP(44, 0):     6.58     7.46    10.47   109.61   106.76    90.31 prim:    460.40, red:     460.40
UM TTTSOLUTION  1:   2 69(sub) 373(all), aP(44, 0)    6.58    7.46   10.47 109.61 106.76  90.31 pr:    460.40, r:     460.40
Peak table: 500(sub) 2919(all)
Best cell:    69 indexed, Niggli aP(44, 0):     6.58     7.46    10.47   109.61   106.76    90.31 prim:    460.40, red:     460.40
UM TTTSOLUTION  1:   3 69(sub) 373(all), aP(44, 0)    6.58    7.46   10.47 109.61 106.76  90.31 pr:    460.40, r:     460.40
Peak table: 500(sub) 2919(all)
Best cell:    69 indexed, Niggli aP(44, 0):     6.58     7.46    10.47   109.61   106.76    90.31 prim:    460.40, red:     460.40
UM TTTSOLUTION  1:   4 69(sub) 373(all), aP(44, 0)    6.58    7.46   10.47 109.61 106.76  90.31 pr:    460.40, r:     460.40
Peak table: 500(sub) 2919(all)
Best cell:    69 indexed, Niggli aP(44, 0):     6.58     7.46    10.47   109.61   106.76    90.31 prim:    460.40, red:     460.40
Make subset: 0.00143
Make T-vectors: 0.10254
Make unit cell: 0.20737
UM TTT INFO: Volume check
Primitive unit cell refinement volume check
UB fit with 363 obs out of 2919 (total:2919,skipped:0) (12.44%)
   UB - matrix:
       0.001147    0.000724   -0.001879   (  0.000049    0.000070    0.000026 )
      -0.003324   -0.001948   -0.001864   (  0.000071    0.000102    0.000038 )
      -0.001933    0.002933    0.000380   (  0.000093    0.000133    0.000049 )
   M - matrix:
       0.000016    0.000002    0.000003   (  0.000000    0.000000    0.000000 )
       0.000002    0.000013    0.000003   (  0.000000    0.000000    0.000000 )
       0.000003    0.000003    0.000007   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.621(9)   7.411(11) 10.478(13)       
      108.66(13) 107.41(12)  90.52(11)  
      V = 462(1) 
UB fit with 363 obs out of 2919 (total:2919,skipped:0) (12.44%)
   UB - matrix:
       0.001148    0.000728   -0.001876   (  0.000004    0.000003    0.000003 )
      -0.003322   -0.001942   -0.001866   (  0.000005    0.000004    0.000003 )
      -0.001909    0.002942    0.000337   (  0.000006    0.000005    0.000004 )
   M - matrix:
       0.000016    0.000002    0.000003   (  0.000000    0.000000    0.000000 )
       0.000002    0.000013    0.000003   (  0.000000    0.000000    0.000000 )
       0.000003    0.000003    0.000007   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.621(9)   7.411(11) 10.478(13)       
      108.66(13) 107.41(12)  90.52(11)  
      V = 462(1) 
UB fit with 373 obs out of 2919 (total:2919,skipped:0) (12.78%)
   UB - matrix:
       0.001145    0.000731   -0.001876   (  0.000004    0.000003    0.000002 )
      -0.003318   -0.001936   -0.001867   (  0.000005    0.000004    0.000003 )
      -0.001900    0.002947    0.000321   (  0.000006    0.000004    0.000003 )
   M - matrix:
       0.000016    0.000002    0.000003   (  0.000000    0.000000    0.000000 )
       0.000002    0.000013    0.000003   (  0.000000    0.000000    0.000000 )
       0.000003    0.000003    0.000007   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.646(8)   7.391(9) 10.477(11)       
      108.28(11) 107.69(10) 90.53(10)  
      V = 462.4(9) 
UM TTT INFO: No smaller volume found
Primitive unit cell refinement
UB fit with 363 obs out of 2919 (total:2919,skipped:0) (12.44%)
   UB - matrix:
       0.001148    0.000728   -0.001876   (  0.000004    0.000003    0.000003 )
      -0.003322   -0.001942   -0.001866   (  0.000005    0.000004    0.000003 )
      -0.001909    0.002942    0.000337   (  0.000006    0.000005    0.000004 )
   M - matrix:
       0.000016    0.000002    0.000003   (  0.000000    0.000000    0.000000 )
       0.000002    0.000013    0.000003   (  0.000000    0.000000    0.000000 )
       0.000003    0.000003    0.000007   (  0.000000    0.000000    0.000000 )
    unit cell:
        6.621(9)   7.411(11) 10.478(13)       
      108.66(13) 107.41(12)  90.52(11)  
      V = 462(1) 
   No constraint
   UB - matrix:
      -0.001673    0.002087   -0.000939   (  0.000003    0.000003    0.000001 )
       0.001010   -0.002391   -0.000935   (  0.000003    0.000004    0.000001 )
      -0.002770   -0.002089    0.000163   (  0.000005    0.000007    0.000002 )
   M - matrix:
       0.000011   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000014   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000002   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.001673    0.002087   -0.000939   (  0.000003    0.000003    0.000001 )
       0.001010   -0.002391   -0.000935   (  0.000003    0.000004    0.000001 )
      -0.002770   -0.002089    0.000163   (  0.000005    0.000007    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000014    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 303 obs out of 2919 (total:2919,skipped:0) (10.38%)
    unit cell:
       7.410(11)  6.608(8) 18.821(17)       
      89.28(8)   92.20(10) 89.49(11)  
      V = 921(2) 
    unit cell:
       7.439(11)  6.582(9) 18.82(2)       
      90.0       91.76(14) 90.0     
      V = 921(2) 
um TTT end at 1.007211 seconds
UB fit with 303 obs out of 2919 (total:2919,skipped:0) (10.38%)
   UB - matrix:
      -0.001675    0.002086   -0.000939   (  0.000003    0.000003    0.000001 )
       0.001008   -0.002393   -0.000935   (  0.000003    0.000004    0.000001 )
      -0.002760   -0.002111    0.000163   (  0.000005    0.000006    0.000002 )
   M - matrix:
       0.000011   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000015   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000002   (  0.000000    0.000000    0.000000 )
    unit cell:
       7.426(11)  6.584(8) 18.817(17)       
      89.28(8)   92.29(10) 89.67(10)  
      V = 919(2) 
   No constraint
   UB - matrix:
      -0.001677    0.002084   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001002   -0.002389   -0.000934   (  0.000003    0.000004    0.000001 )
      -0.002755   -0.002127    0.000159   (  0.000005    0.000006    0.000002 )
   M - matrix:
       0.000011   -0.000000    0.000000   (  0.000000    0.000000    0.000000 )
      -0.000000    0.000015   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000002   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.001677    0.002084   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001002   -0.002389   -0.000934   (  0.000003    0.000004    0.000001 )
      -0.002755   -0.002127    0.000159   (  0.000005    0.000006    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 321 obs out of 2919 (total:2919,skipped:0) (11.00%)
    unit cell:
       7.439(10)  6.575(7) 18.831(16)       
      89.27(8)   92.54(9)  89.90(10)  
      V = 920(2) 
    unit cell:
       7.446(11)  6.557(8) 18.86(2)       
      90.0       92.10(13) 90.0     
      V = 920(2) 
OTKP changes: 310 1 1 1 
Cycle   1 - Res:     0.097934, da=0.093279, sx=0.001662, sy=0.006204, h=0.021318, k=0.015609, l=0.012280, LM=0.000000
Cycle   2 - Res:     0.098573, da=0.094706, sx=0.001404, sy=0.005755, h=0.019286, k=0.014935, l=0.010833, LM=0.000000
Cycle   3 - Res:     0.098517, da=0.094648, sx=0.001404, sy=0.005755, h=0.019286, k=0.014935, l=0.010831, LM=0.000000
Cycle   4 - Res:     0.098517, da=0.094648, sx=0.001404, sy=0.005755, h=0.019286, k=0.014935, l=0.010831, LM=0.000000
Cycle   5 - Res:     0.098517, da=0.094648, sx=0.001404, sy=0.005755, h=0.019286, k=0.014935, l=0.010831, LM=0.000000
Model change (all parameters):
Omega Offset        0.000000      0.000000               0               0  0
Kappa Offset        0.000000      0.000000               0               0  0
Phi Offset          0.000000      0.000000               0               0  0
Alpha Value        50.000000     50.000000               0               0  0
Beta Value          0.000000      0.000000               0               0  0
Theta Offset        0.000000      0.000000               0               0  0
Det. D. Scale     647.000000    647.000000               0               0  0
Det. Offset X     387.560520    387.399394       -0.161126     0.000343729  1
Det. Offset Y     192.936500    192.878897      -0.0576027     0.000339777  1
Det. Rot. X         3.592080      3.660547       0.0684667     0.000520914  1
Det. Rot. Y         0.000000      0.000000               0               0  0
Det. Rot. Z         0.000000      0.000000               0               0  0
Det. Pixel D        1.000000      1.000000               0               0  0
Det. Pixel X        1.000000      1.000000               0               0  0
Det. Pixel Y        1.000000      1.000000               0               0  0
Det. Alpha         90.000000     90.000000               0               0  0
Det. Beta          90.000000     90.000000               0               0  0
Det. Gamma         90.000000     90.000000               0               0  0
Beam. Rot. Y        0.000000      0.000000               0               0  0
Beam. Rot. Z        0.000000      0.000000               0               0  0
Cryst. Rot. X      75.092918     75.329446        0.236528     0.000856489  1
Cryst. Rot. Y     -54.662509    -54.546841        0.115667     0.000429924  1
Cryst. Rot. Z    -149.136696   -149.089023       0.0476737     0.000878869  1
Rec. latt. a*       0.134553      0.134361    -0.000191615     8.99151e-07  1
Rec. latt. b*       0.152098      0.152077    -2.13883e-05     1.02893e-06  1
Rec. latt. c*       0.053160      0.053130    -3.07202e-05      3.4785e-07  1
Rec. latt. al*     90.730617     90.739002      0.00838479     0.000537805  1
Rec. latt. be*     87.453912     87.213330       -0.240582     0.000537496  1
Rec. latt. ga*     90.130679     89.944985       -0.185693     0.000546669  1
Cryst. Dance X      0.000000      0.000000               0               0  0
Cryst. Dance Y      0.000000      0.000000               0               0  0
Cryst. Dance Z      0.000000      0.000000               0               0  0
   No constraint
   UB - matrix:
      -0.001681    0.002083   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001002   -0.002373   -0.000934   (  0.000003    0.000003    0.000001 )
      -0.002746   -0.002149    0.000152   (  0.000005    0.000005    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000002   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.001681    0.002083   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001002   -0.002373   -0.000934   (  0.000003    0.000003    0.000001 )
      -0.002746   -0.002149    0.000152   (  0.000005    0.000005    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 323 obs out of 2919 (total:2919,skipped:0) (11.07%)
    unit cell:
       7.453(9)  6.573(7) 18.855(15)       
      89.25(8)  92.90(8)  90.13(9)   
      V = 922(2) 
    unit cell:
       7.435(11)  6.566(7) 18.92(2)       
      90.0       92.53(12) 90.0     
      V = 922(2) 
   No constraint
   UB - matrix:
      -0.001683    0.002084   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001000   -0.002373   -0.000933   (  0.000003    0.000003    0.000001 )
      -0.002744   -0.002152    0.000152   (  0.000005    0.000005    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015   -0.000000   (  0.000000    0.000000    0.000000 )
       0.000000   -0.000000    0.000002   (  0.000000    0.000000    0.000000 )
   Constraint
   UB - matrix:
      -0.001683    0.002084   -0.000939   (  0.000002    0.000003    0.000001 )
       0.001000   -0.002373   -0.000933   (  0.000003    0.000003    0.000001 )
      -0.002744   -0.002152    0.000152   (  0.000005    0.000005    0.000002 )
   M - matrix:
       0.000011    0.000000    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000015    0.000000   (  0.000000    0.000000    0.000000 )
       0.000000    0.000000    0.000002   (  0.000000    0.000000    0.000000 )
UB fit with 326 obs out of 2919 (total:2919,skipped:0) (11.17%)
    unit cell:
       7.455(9)  6.568(7) 18.861(15)       
      89.23(7)  92.94(8)  90.15(9)   
      V = 922(2) 
    unit cell:
       7.436(11)  6.562(7) 18.92(2)       
      90.0       92.53(13) 90.0     
      V = 922(2) 
WD P/CAL INFO: \\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301_cracker.par written
 
Instrument model: dd: 647.00, x0: 387.40, y0: 192.88, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
ABS INFO: Bup copy of face list ('\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301.CAP_shape' to '\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\bup\exp_7301_Thu-Nov-07-10-47-04-2024.CAP_shape')
Writing tabbin file: "\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301_peakhunt"
WD P/CAL INFO: \\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301_cracker.par written
 
Instrument model: dd: 647.00, x0: 387.40, y0: 192.88, beam: 0.00, o0: 0.00, t0: 0.00, k0: 0.00
 
ABS INFO: Bup copy of face list ('\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\exp_7301.CAP_shape' to '\\Rac-deu-scx5\d\Khai\Delft\SAN14-2\MIL-53-75NH225CH3\exp_7301\bup\exp_7301_Thu-Nov-07-10-47-11-2024.CAP_shape')
CRYSALIS INFO: No changes in tabbin file! Automatic save skipped (pWriteKM4PeakTableAndPrintTABBIN)!
