[phenixbb] Twin Refinement in P 1 21 1
nechols at lbl.gov
Mon Sep 26 18:56:51 PDT 2011
On Mon, Sep 26, 2011 at 6:29 PM, Yuri <yuri.pompeu at ufl.edu> wrote:
> I have a twinned data set with PM twin operator h,-k,-h-l
> I was able to input the twin law into the refinement parameters,
> however I do not see a place that asks me for the law when generating the
> Rfree flags.
> Could someone point me in the right direction?
The default behavior in Phenix is to use the highest possible lattice
symmetry to generate R-free flags, and then expand to lower symmetry
if necessary. This should ensure that the twinned refinement does not
bias the R-free. All it needs to do this is the symmetry information
- the twin operator is irrelevant when generating flags.
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