[phenixbb] Validation question: R-factor (all) and # of unique reflections (all)
pafonine at lbl.gov
Tue Jul 5 13:04:52 PDT 2011
> I feel like I should calculate R(all). As mtz file is usually big,
> how can I extract Fobs and Fmodel from phenix generated mtz file?
If you feel you want it, then go ahead, and this command might be of
phenix.mtz.dump data.mtz --column-data-format=spreadsheet -c
Yet another (easier) alternative is to run a dummy phenix.refine run
phenix.refine data.mtz model.pdb
then take the reported R-factor (Rwork will be equal to Rfree, so take
any of them), and discard the files.
All the best!
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