[phenixbb] does phenix.refine ignore F-obs, SIGF-obs?

[Pavel Afonine]

Hi Scott,

> I have an mtz file that has:
> 
> I-obs
> SIGI-obs
> F-obs
> SIGF-obs
> 
> 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:

input.xray_data.labels="F-obs"

Let me know if you have any problem or questions!

Pavel.