[phenixbb] R-free rules

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Fri Nov 13 13:08:42 PST 2009

> [ phenix.refine v1.5 rel. tag 2 intel linux 2.6 ]
> if i provide the test set .mtz (flag = "1") in refinement separately from 
> the data .mtz, it looks like reflection_file_converter.py does not flag 
> the work set as "0", if the work set lacks such a flag -- is that right?

I think that's true.
Nat wrote a more comprehensive tool for generating R-free flags, which
are included in recent nightly builds. I'm pretty sure Nat generates
the flags for all possible reflections.

> i.e. when providing the test set, it looks like all observed data must be 
> in the test set, however the work set has flag "0".

Hm... not sure I understand, but try Nat's new tools first. It is
easiest through the GUI, but there's also a command-line version,


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