Hi, I agree with other people. You must have a wrong index here. Can you tell us what is the unit cell for this crystal from your determination? I can see very close spots in the high resolution shell from your image, which are overlapped into one spot in the low resolution shell. Try to use other frames to do the indexing. If it is still not working, it might be easier to collect another dataset with better crystal alignment.
Best, Nian On Fri, Oct 14, 2011 at 12:12 AM, ChenTiantian <chentiantian2...@gmail.com>wrote: > 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 >
