Dear Murpholino,
In phenix.merging_statistics, reflections which should be
systematically absent are removed before calculation of statistics.
Therefore space group choice (89 or 96) affects the results, but only
slightly.
Best regards,
Keitaro
2016-02-18 4:32 GMT+09:00 Tim Gruene
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Dear Murpholino Peligro,
merging statistics are not affected by screw axes (or glide planes), it only depends on the Laue group. as P422 and P4(3)2(1)2 belong to the same Laue group, it makes no difference.
In fact it should not matter what you put into XDS_ASCII.HKL. If your data allows, it is advisable to integrate your data in P1 and assign the space group after data collection (This is not directly related to your question).
Best, Tim
On Wednesday, February 17, 2016 10:38:04 AM Murpholino Peligro wrote:
Hi. Is it really important to have the correct space group in the mtz (or XDS_ASCII.HKL) file which will be the input for phenix.merging_statistics?
I have space group= 89 And I know it is space group=96
Thanks
- -- Paul Scherrer Institut Tim Gruene - - persoenlich - OFLC/102 CH-5232 Villigen PSI phone: +41 (0)56 310 5754
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