[phenixbb] r_work and r_free from an .mtz file containing Fobs and Fcalc

Pavel Afonine pafonine at lbl.gov
Mon Jul 1 11:15:16 PDT 2019

Hi Andre,

> Can Phenix calculate r_work and r_free from a .mtz file containing FP 
> and FC_ALL (from PDB_REDO), without inputing the matching .pdb file?

if it is still actual... No, there is no user-available tool to do this 
in Phenix, AFAIK. Simply because it isn't clear what it is useful for 
unless you are doing some custom experimenting (and if that's the case 
you probably can do it yourself anyway!).
I can write a few lines of cctbx based script to do this. Literally, 
this is under 10 lines of trivial python code. Let me know!


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