[phenixbb] correct space group for phenix.merging_statistics?

[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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