[phenixbb] does phenix.refine ignore F-obs, SIGF-obs?
PAfonine at lbl.gov
Thu Mar 11 10:03:31 PST 2010
> I have an mtz file that has:
> I want phenix.refine to use F-obs and SIGF-obs, but even though I
> provide :
> labels = "F-obs,SIGF-obs"
by default phenix.refine takes I-obs,SIGI-obs. You need to tell phenix.refine explicitly that you want to use F-obs,SIGI-obs.
> I think phenix.refine is seeing the I-obs,SIGI-obs and
> recalculating the structure factors from those values instead of
> using the Fs that I provide in the mtz.
Yes, this is what it does.
> Other than stripping the I-obs,SIGI-obs from the input mtz, is
> there a way to force phenix to use my structure factors?
Yes, specify them explicitly:
Let me know if you have any problem or questions!
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