Hi there,
I am processing a dataset which has bad ice rings (as you can see in the
attach png file).
I tried both XDS and imosflm, and got similar results, it seems that adding
" EXCLUDE_RESOLUTION_RANGE" cannot get rid of the effects of the ice rings.
the following is part of the CORRECT.LP which is the second attached file,
you can find more details there.
SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF
RESOLUTION
RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR
COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano
LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed
expected Corr
4.24 37152 5537 5545 99.9% 46.9% 52.7%
37150 2.48 50.8% 19.4% -28% 0.513 5136
3.01 55344 9002 9840 91.5% 62.7% 65.1%
55116 1.76 68.3% 48.1% -28% 0.520 7760
2.46 84636 12699 12703 100.0% 67.4% 84.7%
84634 1.55 73.0% 54.2% -19% 0.513 12104
2.13 97910 14743 14987 98.4% 254.5% 199.3%
97908 0.16 276.2% 4899.9% -23% 0.473 14037
1.90 110260 16846 16940 99.4% 299.2% 303.3%
110245 0.06 325.0% -99.9% -17% 0.422 15995
1.74 118354 18629 18744 99.4% 1062.0% 1043.6%
118317 -0.20 1156.4% -99.9% -13% 0.380 17414
1.61 122958 20193 20331 99.3% 967.5% 1571.1%
122868 0.10 1059.7% 987.3% -2% 0.402 18348
1.51 125075 21554 21794 98.9% 838.9% 1355.1%
124933 0.08 922.6% 1116.9% -1% 0.402 18977
1.42 72057 17042 23233 73.4% 640.8% 775.3%
70391 0.08 732.5% 826.7% -8% 0.425 10003
total 823746 136245 144117 94.5% 166.4% 166.7%
821562 0.40 181.1% 296.7% -15% 0.435 119774
Note that I/SIGMA of each resolution shell is <2.5, so how should I do to
process the dataset properly? Any suggestion about this super ice rings?
Thanks!
Tiantian
--
Shanghai Institute of Materia Medica, Chinese Academy of Sciences
Address: Room 101, 646 Songtao Road, Zhangjiang Hi-Tech Park,
Shanghai, 201203
