xia2 processing report

Merging statistics

Space group: P 43 2 2 (No. 95)
Unit cell: (73.92, 73.92, 110, 90, 90, 90)

Overall

NATIVE
Wavelength (Å) 1.11583
Resolution range (Å) 33.06 - 1.65 (1.68 - 1.65)
Completeness (%) 99.16 (93.82)
Multiplicity 11.59 (9.06)
CC-half 0.9987 (0.4495)
I/sigma 13.91 (1.05)
Rmerge(I) 0.0776 (1.5822)
Anomalous completeness (%) 99.26 (91.95)
Anomalous multiplicity 6.18 (4.78)

References

xia2 output files

Reflection data files

Log files

AUTOMATIC_DEFAULT_XSCALE.log original
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_CORRECT.log original
AUTOMATIC_DEFAULT_NATIVE_truncate.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_INDEX.log original
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_INTEGRATE.log original
AUTOMATIC_DEFAULT_aimless.log original html

Detailed statistics for dataset NATIVE

Overall

Overall Low resolution High resolution
Resolution (Å) 33.06 - 1.65 33.06 - 4.48 1.68 - 1.65
Observations 429895 22429 15813
Unique reflections 37102 2071 1745
Multiplicity 11.6 10.8 9.1
Completeness 99.16% 99.76% 93.82%
Mean I/sigma(I) 13.9 35.5 1.1
Rmerge 0.078 0.050 1.582
Rmeas 0.081 0.053 1.677
Rpim 0.024 0.015 0.538
CC1/2 0.999 0.999 0.450

Resolution shells

Resolution (Å) N(obs) N(unique) Multiplicity Completeness Mean(I) Mean(I/sigma) Rmerge Rmeas Rpim CC1/2 CCano
33.06 - 4.48 22429 2071 10.83 99.76 5608.0 35.5 0.050 0.053 0.015 0.999* -0.333
4.48 - 3.55 20394 1936 10.53 99.95 5220.3 33.4 0.060 0.063 0.019 0.997* -0.260
3.55 - 3.10 21885 1909 11.46 99.74 2661.2 31.0 0.066 0.069 0.020 0.998* -0.283
3.10 - 2.82 20442 1889 10.82 99.74 1395.5 26.2 0.071 0.075 0.022 0.998* -0.210
2.82 - 2.62 21919 1877 11.68 99.95 722.1 22.5 0.083 0.087 0.025 0.998* -0.301
2.62 - 2.46 22333 1864 11.98 99.84 581.6 20.7 0.090 0.094 0.027 0.997* -0.268
2.46 - 2.34 22783 1879 12.13 99.89 413.9 17.7 0.106 0.111 0.031 0.997* -0.286
2.34 - 2.24 20540 1848 11.11 99.68 344.2 15.0 0.126 0.132 0.040 0.995* -0.087
2.24 - 2.15 21938 1850 11.86 99.68 272.0 13.4 0.148 0.155 0.044 0.995* -0.208
2.15 - 2.08 22747 1859 12.24 99.73 215.8 11.9 0.179 0.186 0.053 0.993* -0.150
2.08 - 2.01 22854 1832 12.47 99.62 170.1 10.1 0.216 0.226 0.063 0.991* -0.113
2.01 - 1.96 23003 1846 12.46 99.41 121.8 8.2 0.279 0.290 0.081 0.984* -0.113
1.96 - 1.90 20813 1822 11.42 99.56 92.5 6.4 0.345 0.361 0.105 0.973* -0.075
1.90 - 1.86 21701 1839 11.80 99.08 66.8 5.2 0.439 0.459 0.132 0.958* -0.083
1.86 - 1.82 22161 1823 12.16 99.29 45.2 3.9 0.584 0.609 0.172 0.926* -0.131
1.82 - 1.78 22446 1830 12.27 99.35 34.5 3.2 0.712 0.743 0.209 0.880* -0.131
1.78 - 1.74 22287 1801 12.37 99.01 23.9 2.4 0.911 0.950 0.266 0.807* -0.093
1.74 - 1.71 22508 1823 12.35 98.54 19.3 1.9 1.075 1.121 0.313 0.729* -0.118
1.71 - 1.68 18899 1759 10.74 97.29 15.8 1.4 1.277 1.340 0.401 0.666* -0.122
1.68 - 1.65 15813 1745 9.06 93.82 12.8 1.1 1.582 1.677 0.538 0.450* 0.029
*significant at p=0.01

Xtriage

9 checks passed

Zwart, P. H., Grosse-Kunstleve, R. W. & Adams, P. D. (2005). CCP4 Newsl. 43, contribution 7.

Analysis plots

Analysis by resolution

Analysis by batch

Miscellaneous