Cosym Analysis

Scoring individual symmetry operations

likelihood Z-CC CC Operator
0.933 9.69 0.97 *** 4 |(0, 0, 1)
0.934 9.70 0.97 *** 4^-1 |(0, 0, 1)
0.934 9.70 0.97 *** 2 |(1, 0, 0)
0.932 9.68 0.97 *** 2 |(0, 1, 0)
0.936 9.74 0.97 *** 2 |(0, 0, 1)
0.936 9.74 0.97 *** 2 |(1, 1, 0)
0.934 9.70 0.97 *** 2 |(-1, 1, 0)

Scoring all possible subgroups

Patterson group Likelihood NetZcc Zcc+ Zcc- delta Reindex operator
P 4/m m m *** 1.000 9.71 9.71 0.00 0.0 -a,-b,c
C m m m 0.000 0.03 9.72 9.69 0.0 a+b,-a+b,c
P 4/m 0.000 0.01 9.71 9.70 0.0 -a,-b,c
P m m m 0.000 -0.00 9.71 9.71 0.0 -a,-b,c
P 1 2/m 1 0.000 0.04 9.74 9.70 0.0 b,c,a
C 1 2/m 1 0.000 0.04 9.74 9.70 0.0 a-b,a+b,c
P 1 2/m 1 0.000 -0.00 9.70 9.71 0.0 -b,-a,-c
C 1 2/m 1 0.000 -0.01 9.70 9.71 0.0 a+b,-a+b,c
P 1 2/m 1 0.000 -0.04 9.68 9.71 0.0 -a,-b,c
P -1 0.000 -9.71 0.00 9.71 0.0 -a,-b,c
Best solution P 4/m m m
Unit cell 68.360 68.360 103.953 90.0 90.0 90.0
Reindex operator -x,-y,z
Laue group probability 1.000
Laue group confidence 1.000
Experiment number scan image range image range in use associated batch range Image template
0 (1, 600) (1, 600) (0, 599) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_112/images/image_17578_master.h5
1 (1, 600) (1, 600) (600, 1199) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_12/images/image_17586_master.h5
2 (1, 600) (1, 600) (1200, 1799) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_151/images/image_17607_master.h5
3 (1, 600) (1, 600) (1800, 2399) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_46/images/image_17657_master.h5
Dataset Batches CC½ ΔCC½ σ
0 1 to 600 0.992 -0.000 -1.44
2 2001 to 2600 0.991 0.000 0.19
1 1001 to 1600 0.991 0.000 0.39
3 3001 to 3599 0.991 0.000 0.86
Cluster No. datasets Datasets Height Multiplicity Completeness
1 2 0 3 0.0022 3.3 0.68
2 3 0 2 3 0.0037 5.9 0.76
3 4 0 1 2 3 0.0044 8.1 0.83
Cluster No. datasets Datasets Height Multiplicity Completeness
1 2 1 2 0.00088 5.6 0.79
2 2 0 3 0.014 3.3 0.68
3 4 0 1 2 3 0.048 8.1 0.83

Detailed statistics for dataset All data

Overall Low resolution High resolution
Resolution (Å) 68.37 - 1.78 68.42 - 4.83 1.81 - 1.78
Observations 216866 21170 137
Unique reflections 20799 1380 126
Multiplicity 10.4 15.3 1.1
Completeness 85.67% 100.00% 10.61%
Mean I/σ(I) 30.0 56.6 2.4
Rmerge 0.057 0.048 0.155
Rmeas 0.060 0.050 0.212
Rpim 0.016 0.012 0.144
CC½ 0.999 0.998 0.958
Resolution (Å) N(obs) N(unique) Multiplicity Completeness Mean I Mean I/σ(I) Rmerge Rmeas Rpim Ranom CC½ CCano
68.42 - 4.83 21170 1380 15.34 100.00 284.2 56.6 0.048 0.050 0.012 0.026 0.998* -0.102
4.83 - 3.84 20595 1269 16.23 100.00 417.0 60.2 0.045 0.047 0.011 0.024 0.999* -0.032
3.84 - 3.35 20441 1258 16.25 100.00 315.8 55.9 0.049 0.050 0.012 0.026 0.999* -0.162
3.35 - 3.05 20531 1226 16.75 100.00 217.4 51.1 0.054 0.056 0.013 0.028 0.999* -0.076
3.05 - 2.83 20409 1221 16.71 100.00 149.7 44.6 0.060 0.062 0.015 0.032 0.999* -0.081
2.83 - 2.66 20944 1230 17.03 100.00 124.2 42.2 0.067 0.069 0.016 0.036 0.998* -0.183
2.66 - 2.53 20254 1200 16.88 100.00 98.3 36.0 0.075 0.077 0.019 0.041 0.998* 0.054
2.53 - 2.42 16541 1212 13.65 100.00 87.6 30.7 0.081 0.084 0.023 0.048 0.997* -0.048
2.42 - 2.32 12327 1208 10.20 100.00 78.4 26.2 0.084 0.088 0.027 0.060 0.996* -0.001
2.32 - 2.24 10345 1209 8.56 100.00 75.1 22.9 0.086 0.091 0.031 0.065 0.993* -0.079
2.24 - 2.17 8653 1193 7.25 99.92 66.2 19.5 0.090 0.097 0.036 0.070 0.992* -0.135
2.17 - 2.11 6964 1189 5.86 99.41 56.4 15.5 0.102 0.111 0.045 0.093 0.990* -0.128
2.11 - 2.06 5481 1148 4.77 96.15 51.1 13.0 0.102 0.114 0.050 0.107 0.990* -0.003
2.06 - 2.01 4333 1108 3.91 92.72 44.0 10.7 0.114 0.131 0.062 0.130 0.983* -0.026
2.01 - 1.96 3142 1028 3.06 86.46 37.7 8.4 0.126 0.151 0.080 0.171 0.973* -0.034
1.96 - 1.92 2119 928 2.28 77.46 34.4 6.9 0.126 0.156 0.090 0.175 0.962* -0.412
1.92 - 1.88 1174 719 1.63 60.27 28.9 4.9 0.143 0.189 0.122 0.253 0.946* 0.950
1.88 - 1.84 819 566 1.45 49.00 25.4 4.2 0.162 0.221 0.148 0.368 0.936* 0.000
1.84 - 1.81 487 381 1.28 31.54 23.1 3.6 0.197 0.270 0.184 0.328 0.902* 0.000
1.81 - 1.78 137 126 1.09 10.61 15.7 2.4 0.155 0.212 0.144 9.324 0.958* 0.000
*significant at p=0.01
Zwart, P. H., Grosse-Kunstleve, R. W. & Adams, P. D. (2005). CCP4 Newsl. 43, contribution 7.

Analysis plots

Experiment number scan image range image range in use associated batch range Image template
0 (1, 600) (1, 600) (0, 599) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_112/images/image_17578_master.h5
1 (1, 600) (1, 600) (600, 1199) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_12/images/image_17586_master.h5
2 (1, 600) (1, 600) (1200, 1799) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_151/images/image_17607_master.h5
3 (1, 600) (1, 600) (1800, 2399) /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_46/images/image_17657_master.h5