[phenixbb] rfree set

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Fri Apr 2 12:16:10 PDT 2010

> I converted mtz to xplor file and did the refinement . Also trying to use mtz file as it self, phenix
> complaining about MDchecksum Rfree.  
> I do have F, SIGF, I, IMEAN , Rfree-flags in the mtz file, converted to xplor format, phenix did not give me any
> warning about MDchecksum,

That's odd. I'd expect phenix.refine to work with either reflection
file and to pickup the correct value for the test set flag
automatically. If you send me the files (off-list) I'll take a look.


More information about the phenixbb mailing list