Re: [phenixbb] Labeling centric and acentric reflections

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 "centric_flags"). 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. Pavel