GdLysozymenoamo 4etc.log
From cctbx_xfel
Statistics for all reflections
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<asu <obs
Bin Resolution Range Completeness redun> redun> n_meas <I> <I/sig(I)>
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1 -1.0000 - 4.0934 [1098/1103] 3819.15 3836.54 4212517 39386 322.007
2 4.0934 - 3.2490 [1027/1027] 3455.17 3455.17 3548462 32098 248.654
3 3.2490 - 2.8382 [1005/1005] 2790.48 2790.48 2804431 21080 167.468
4 2.8382 - 2.5787 [1004/1004] 2116.09 2116.09 2124556 15102 121.452
5 2.5787 - 2.3938 [992/992] 1486.94 1486.94 1475042 10649 86.519
6 2.3938 - 2.2527 [986/986] 910.70 910.70 897951 8042 59.687
7 2.2527 - 2.1399 [987/987] 647.88 647.88 639455 6462 45.941
8 2.1399 - 2.0467 [978/978] 463.86 463.86 453659 5459 37.341
9 2.0467 - 1.9679 [981/981] 235.10 235.10 230635 3904 21.732
10 1.9679 - 1.9000 [974/974] 75.81 75.81 73838 3101 10.993
All [10032/10037] 1639.99 1640.80 16460546 14914 115.405
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SUMMARY: For 11015 reflections, got slope 1.128181, correlation 0.721862
Statistics for reflections where I > 0
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<asu <obs
Bin Resolution Range Completeness redun> redun> n_meas <I> <I/sig(I)>
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1 -1.0000 - 4.0934 [1098/1103] 3255.71 3270.54 3591049 39386 322.007
2 4.0934 - 3.2490 [1027/1027] 2731.06 2731.06 2804794 32098 248.654
3 3.2490 - 2.8382 [1005/1005] 2071.94 2071.94 2082298 21080 167.468
4 2.8382 - 2.5787 [1004/1004] 1522.34 1522.34 1528427 15102 121.452
5 2.5787 - 2.3938 [992/992] 1057.23 1057.23 1048772 10649 86.519
6 2.3938 - 2.2527 [986/986] 641.70 641.70 632721 8042 59.687
7 2.2527 - 2.1399 [987/987] 451.43 451.43 445557 6462 45.941
8 2.1399 - 2.0467 [978/978] 318.79 318.79 311776 5459 37.341
9 2.0467 - 1.9679 [981/981] 161.25 161.25 158183 3904 21.732
10 1.9679 - 1.9000 [974/974] 53.16 53.16 51775 3101 10.993
All [10032/10037] 1260.87 1261.50 12655352 14914 115.405
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OUTPUT FILES
(will use final unit cell edges 78.0333 78.0333 38.833)
Anomalous and mean data:
/reg/data/ana04/cxi/cxi84914/scratch/tmmclark/merge/GdLysozymenoanom_4etc_s0_mark0.mtz
Final data:
Miller array info: None
Observation type: xray.intensity
Type of data: double, size=9902
Type of sigmas: double, size=9902
Number of Miller indices: 9902
Anomalous flag: False
Unit cell: (78.0333, 78.0333, 38.833, 90, 90, 90)
Space group: P 43 21 2 (No. 96)
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Bin Resolution Range # images
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1 -1.0000 - 4.0934 95023
2 4.0934 - 3.2490 92995
3 3.2490 - 2.8382 88713
4 2.8382 - 2.5787 79466
5 2.5787 - 2.3938 69426
6 2.3938 - 2.2527 57933
7 2.2527 - 2.1399 47604
8 2.1399 - 2.0467 38206
9 2.0467 - 1.9679 28624
10 1.9679 - 1.9000 17771
All 95042
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-------------------------------
iobs,sigiobs xray.intensity
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iobs,sigiobs xray.intensity
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iobs,sigiobs xray.intensity
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iobs,sigiobs xray.intensity
9193
9907
9902
9907
9902
9907
9902
9907
-------------------------------
C.C. iso is 78.2% on 8766 indices
C.C. int is 97.3% on 9902 indices
Table of Scaling Results:
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CC CC R R Scale Scale
Bin Resolution Range Completeness int N iso N int iso int iso
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1 -1.0000 - 4.0934 [1087/1092] 98.0% 1087 74.4% 935 11.8% 47.1% 0.995 0.189
2 4.0934 - 3.2490 [1001/1001] 94.6% 1001 72.6% 889 14.6% 49.7% 0.942 0.156
3 3.2490 - 2.8382 [1009/1009] 93.2% 1009 54.1% 905 14.9% 58.2% 0.967 0.193
4 2.8382 - 2.5787 [ 983/983 ] 92.5% 983 41.4% 890 15.1% 60.2% 0.984 0.221
5 2.5787 - 2.3938 [ 983/983 ] 91.5% 983 41.0% 894 17.1% 60.4% 0.951 0.232
6 2.3938 - 2.2527 [ 973/973 ] 85.1% 973 37.4% 884 21.1% 62.4% 0.958 0.194
7 2.2527 - 2.1399 [ 979/979 ] 77.1% 979 39.3% 883 25.2% 64.9% 0.896 0.192
8 2.1399 - 2.0467 [ 957/957 ] 68.3% 957 25.2% 871 34.5% 67.4% 0.754 0.214
9 2.0467 - 1.9679 [ 970/970 ] 56.2% 970 27.5% 868 33.6% 67.0% 0.939 0.210
10 1.9679 - 1.9000 [ 960/960 ] 59.5% 960 23.0% 747 45.8% 69.0% 0.832 0.208
All 97.3% 9902 78.2% 8766 16.6% 55.6% 0.972 0.180
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CCint is the CC-1/2 defined by Diedrichs; correlation between odd/even images.
Similarly, Scale int and R int are the scaling factor and scaling R factor between odd/even images.
"iso" columns compare the whole XFEL dataset to the isomorphous reference.
