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5 Jul
2011
5 Jul
'11
8:04 p.m.
Hi Young-Jin,
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 help here: phenix.mtz.dump data.mtz --column-data-format=spreadsheet -c Yet another (easier) alternative is to run a dummy phenix.refine run like this: phenix.refine data.mtz model.pdb xray_data.r_free_flags.ignore_r_free_flags=true main.number_of_mac=1 strategy=none output.prefix=junk then take the reported R-factor (Rwork will be equal to Rfree, so take any of them), and discard the files. All the best! Pavel.