xia2 processing report

Merging statistics

Space group: C 1 2/c 1 (No. 15)
Alternative space groups: C 1 2/n 1 (No. 15)
Unit cell: (20.2635, 8.7575, 9.6697, 90, 109.941, 90)

Overall

NATIVE
Wavelength (Å) 0.6889
Resolution range (Å) 9.52 - 0.48 (0.48 - 0.48)
Completeness (%) 98.24 (92.38)
Multiplicity 5.75 (2.55)
CC-half 0.9998 (0.9892)
I/sigma 19.11 (5.95)
Rmerge(I) 0.0357 (0.0992)
Anomalous completeness (%) 0.00 (0.00)
Anomalous multiplicity 5.75 (2.55)

References

xia2 output files

Reflection data files

Log files

AUTOMATIC_DEFAULT_NATIVE_SWEEP1_INDEX.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_LATTICE.log original
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_REFINE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP1_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP2_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP3_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP4_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP5_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP6_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP7_INTEGRATE.log original html
AUTOMATIC_DEFAULT_NATIVE_SWEEP8_INTEGRATE.log original html
AUTOMATIC_DEFAULT_pointless.log original html
AUTOMATIC_DEFAULT_aimless.log original html

Detailed statistics for dataset NATIVE

Overall

Overall Low resolution High resolution
Resolution (Å) 9.52 - 0.48 9.53 - 1.29 0.48 - 0.48
Observations 44272 4560 988
Unique reflections 7706 396 388
Multiplicity 5.7 11.5 2.5
Completeness 98.24% 100.00% 92.38%
Mean I/sigma(I) 19.1 52.6 6.0
Rmerge 0.036 0.028 0.099
Rmeas 0.038 0.029 0.121
Rpim 0.013 0.009 0.068
CC1/2 1.000 1.000 0.989

Resolution shells

Resolution (Å) N(obs) N(unique) Multiplicity Completeness Mean(I) Mean(I/sigma) Rmerge Rmeas Rpim CC1/2
9.53 - 1.29 4560 396 11.52 100.00 8958.9 52.6 0.028 0.029 0.009 1.000*
1.29 - 1.03 5027 394 12.76 100.00 3372.5 47.4 0.034 0.036 0.010 1.000*
1.03 - 0.90 4173 390 10.70 99.74 1833.0 38.7 0.036 0.038 0.012 0.999*
0.90 - 0.81 3400 383 8.88 100.00 1172.7 29.6 0.042 0.045 0.015 0.999*
0.81 - 0.76 3071 392 7.83 100.00 853.7 24.8 0.044 0.047 0.017 0.999*
0.76 - 0.71 3046 400 7.62 100.00 926.3 24.6 0.044 0.048 0.018 0.998*
0.71 - 0.68 2776 386 7.19 100.00 737.2 21.2 0.052 0.057 0.021 0.999*
0.68 - 0.65 2643 387 6.83 100.00 661.4 19.7 0.055 0.060 0.023 0.997*
0.65 - 0.62 2547 394 6.46 100.00 553.1 17.8 0.057 0.063 0.024 0.998*
0.62 - 0.60 1977 400 4.94 99.26 505.5 14.6 0.056 0.063 0.028 0.998*
0.60 - 0.58 1182 374 3.16 99.20 469.6 11.7 0.058 0.068 0.036 0.996*
0.58 - 0.56 1311 406 3.23 99.27 431.1 10.8 0.061 0.072 0.037 0.996*
0.56 - 0.55 1126 360 3.13 98.36 357.2 10.2 0.064 0.076 0.042 0.995*
0.55 - 0.54 1208 400 3.02 98.28 328.0 9.6 0.066 0.080 0.044 0.994*
0.54 - 0.52 1138 375 3.03 97.66 295.5 9.2 0.068 0.082 0.045 0.994*
0.52 - 0.51 1077 377 2.86 95.93 242.2 8.4 0.077 0.094 0.052 0.990*
0.51 - 0.50 1046 365 2.87 95.30 190.2 7.3 0.090 0.109 0.060 0.986*
0.50 - 0.49 1039 385 2.70 95.53 229.7 7.9 0.081 0.100 0.058 0.992*
0.49 - 0.48 937 354 2.65 94.15 148.5 6.4 0.098 0.120 0.068 0.986*
0.48 - 0.48 988 388 2.55 92.38 148.4 6.0 0.099 0.121 0.068 0.989*
*significant at p=

Xtriage

3 alerts

4 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