[phenixbb] rfree set

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Mon Apr 5 12:11:11 PDT 2010


> 1. If I use mtz as default, which contains following labels,
> F, SIGF, IMEAN, ISIGMA, RFRee flags.
> Why  phenix picks up IMEAN instead of Fs. 

Because Imean is assumed to be more directly related to the experimental
observations. -- It is a fairly weak argument, but a decision had to
be made somehow.
You can force phenix.refine to use F:

  phenix.refine xray_data.labels=F,SIGF

> I run both phenix with default
>  phenix.refine model.pdb x.mtz

I'd need the files to see what's happening.

Ralf



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