[phenixbb] correct space group for phenix.merging_statistics?
tim.gruene at psi.ch
Wed Feb 17 11:32:39 PST 2016
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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).
On Wednesday, February 17, 2016 10:38:04 AM Murpholino Peligro wrote:
> 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
Paul Scherrer Institut
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CH-5232 Villigen PSI
phone: +41 (0)56 310 5754
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