[phenixbb] Twin refinement with anomalous pairs
Pavel Afonine
PAfonine at lbl.gov
Mon Oct 20 17:27:08 PDT 2008
Hi Francis,
by default both F+ and F- are used in phenix.refine. However, you can
request that the average values, Fobs_ave = (F+ + F-)/2 are used instead
("xray_data.force_anomalous_flag_to_be_equal_to=False" keyword).
Peter may have more details on how this is handled in twin-refinement.
Pavel.
On 10/20/2008 7:45 AM, Francis E Reyes wrote:
> All
>
> How does phenix.refine handle the twin refinement target when refining
> against F+/F-? I'm specifically asking for the proper assignment of
> F+/F- for twin related reflections (e.g. 10.1107/S0907444902021704).
> My data is currently in P41 with friedel pairs as output by scala.
>
>
> Thanks
>
> FR
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
>
> ------------------------------------------------------------------------
>
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