[phenixbb] does phenix refine fill in missing data?

Pavel Afonine pafonine at lbl.gov
Thu Jun 22 16:09:30 PDT 2017

> I have very anisotropic data. I used the staraniso webserver to 
> analyse and process my data which creates a final merged file with 
> very incomplete data in the outer shells. If I use this data file in 
> Phenix, what will happen? Will Phenix automatically fill in the 
> unobserved data? If so, can I prevent it from doing so?
> I am importing the data with the reflection file editor and it seems 
> the reflections are being filled in already at this stage.

depends on what program you use.

phenix.refine always creates two sets of 2mFo-DFc maps in output mtz 
file. One using original data and one using missing reflections filled 
in with predicted values. If data set is severely incomplete you better 
off being careful and inspecting both maps.

phenix.maps will also compute two 2mFo-DFc maps.

Refinement will use original data as supplied for refinement.


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