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Hi ChenTiantian,

the R-factors and I/sigma are bad even at low resolution where the first 
icering does not influence the results.
Thus, the problem with your data processing has little to do with the 
icerings. I guess that the indexing is not correct.
My suggestion:
1) using adxv or a similar display program, note what the inner and 
outer limits of the ice rings are. These values should be used as 
parameters for the EXCLUDE_RESOLUTION_RANGE= keywords in XDS.INP, not 
the provided ones (which are meant for hexagonal ice).
2) start XDS from the INIT step
3) use at least half of your DATA_RANGE as SPOT_RANGE
4) make sure that ORGX and ORGY are correct - mis-indexing is in 90% of 
the cases due to a wrong origin. In fact, just estimating ORGX and ORGY 
from the first frame, using adxv or XDS-viewer, seems to do a good job.

HTH,

Kay


Am 20:59, schrieb ChenTiantian:
> 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


-- 
Kay Diederichs                http://strucbio.biologie.uni-konstanz.de
email: [log in to unmask]    Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box 647, D-78457 Konstanz

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