[phenixbb] Labeling centric and acentric reflections

Pavel Afonine pafonine at lbl.gov
Wed Dec 21 15:03:04 PST 2022

Hi Andre,

> Is there a way to label centric and acentric reflections in the .mtz 
> file and output an additional column, let's say, with values 0 
> (acentric) and 1 (centric), similar to R_free flags?
> Many thanks for your attention.

I'm not aware of Phenix tool to do this. However, if you use CCTBX then 
you can access these flags as as a method of miller array class (called 

I can help with the script if interested.

Alternatively, I can extend this quite old command line program: 
phenix.reciprocal_space_arrays -- it outputs lots of this kind of 
technical arrays but just not the centric/acentric flag, but I can add it.


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