[phenixbb] correct space group for phenix.merging_statistics?

Keitaro Yamashita k.yamashita at spring8.or.jp
Wed Feb 17 20:56:44 PST 2016


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 <tim.gruene at psi.ch>:
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
>
> 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
>
> GPG Key ID = A46BEE1A
> -----BEGIN PGP SIGNATURE-----
> Version: GnuPG v2
>
> iD8DBQFWxMrdUxlJ7aRr7hoRAqdGAKCjSfW7mw9PNRDtM8GNWbyPKDzPcACgyy+h
> hqiaNBrTHAHMunEl9guELuo=
> =kP8/
> -----END PGP SIGNATURE-----
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
> Unsubscribe: phenixbb-leave at phenix-online.org


More information about the phenixbb mailing list