GdLysozymeanom 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 [1828/1833] 2298.15 2304.44 4212517 39447 252.595
2 4.0934 - 3.2490 [1830/1830] 1939.05 1939.05 3548462 32453 189.212
3 3.2490 - 2.8382 [1824/1824] 1537.52 1537.52 2804431 21477 126.067
4 2.8382 - 2.5787 [1840/1840] 1154.65 1154.65 2124556 15258 90.629
5 2.5787 - 2.3938 [1828/1828] 806.92 806.92 1475042 10813 64.383
6 2.3938 - 2.2527 [1829/1829] 490.95 490.95 897951 8109 44.146
7 2.2527 - 2.1399 [1834/1834] 348.67 348.67 639455 6556 33.991
8 2.1399 - 2.0467 [1825/1825] 248.58 248.58 453659 5487 27.376
9 2.0467 - 1.9679 [1833/1833] 125.82 125.82 230635 3959 15.990
10 1.9679 - 1.9000 [1828/1828] 40.39 40.39 73838 3177 8.017
All [18299/18304] 899.29 899.53 16460546 14670 85.218
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SUMMARY: For 20145 reflections, got slope 1.158594, correlation 0.736066
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 [1828/1833] 1959.11 1964.47 3591049 39447 252.595
2 4.0934 - 3.2490 [1830/1830] 1532.67 1532.67 2804794 32453 189.212
3 3.2490 - 2.8382 [1824/1824] 1141.61 1141.61 2082298 21477 126.067
4 2.8382 - 2.5787 [1840/1840] 830.67 830.67 1528427 15258 90.629
5 2.5787 - 2.3938 [1828/1828] 573.73 573.73 1048772 10813 64.383
6 2.3938 - 2.2527 [1829/1829] 345.94 345.94 632721 8109 44.146
7 2.2527 - 2.1399 [1834/1834] 242.94 242.94 445557 6556 33.991
8 2.1399 - 2.0467 [1825/1825] 170.84 170.84 311776 5487 27.376
9 2.0467 - 1.9679 [1833/1833] 86.30 86.30 158183 3959 15.990
10 1.9679 - 1.9000 [1828/1828] 28.32 28.32 51775 3177 8.017
All [18299/18304] 691.40 691.59 12655352 14670 85.218
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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/GdLysozymeanom_4etc_s0_mark0.mtz
Final data:
Miller array info: None
Observation type: xray.intensity
Type of data: double, size=18057
Type of sigmas: double, size=18057
Number of Miller indices: 18057
Anomalous flag: True
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(+),iobs(-),sigiobs(-) xray.intensity
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iobs(+),sigiobs(+),iobs(-),sigiobs(-) xray.intensity
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iobs(+),sigiobs(+),iobs(-),sigiobs(-) xray.intensity
16916
18062
18057
18062
18057
18062
18057
18062
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C.C. iso is 78.6% on 16189 indices
C.C. int is 96.2% on 18057 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 [1809/1814] 97.3% 1809 75.4% 1588 13.7% 45.9% 0.990 0.189
2 4.0934 - 3.2490 [1789/1789] 92.1% 1789 71.3% 1611 17.4% 49.4% 0.931 0.156
3 3.2490 - 2.8382 [1824/1824] 90.9% 1824 54.0% 1655 17.5% 57.6% 0.956 0.193
4 2.8382 - 2.5787 [1802/1802] 88.9% 1802 42.2% 1650 18.5% 59.6% 0.972 0.221
5 2.5787 - 2.3938 [1807/1807] 87.3% 1807 39.1% 1664 21.2% 60.2% 0.938 0.232
6 2.3938 - 2.2527 [1804/1804] 79.5% 1804 36.6% 1659 25.7% 62.5% 0.940 0.194
7 2.2527 - 2.1399 [1819/1819] 72.0% 1819 38.9% 1661 29.4% 64.7% 0.871 0.192
8 2.1399 - 2.0467 [1792/1792] 64.9% 1792 24.2% 1641 38.2% 67.1% 0.723 0.214
9 2.0467 - 1.9679 [1811/1811] 50.6% 1811 27.6% 1641 39.9% 66.6% 0.848 0.210
10 1.9679 - 1.9000 [1800/1800] 49.1% 1800 21.3% 1419 53.3% 69.1% 0.768 0.208
All 96.2% 18057 78.6% 16189 19.9% 55.4% 0.963 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.
