Opened 8 years ago

Last modified 8 years ago

#12 new enhancement

R-free via partial Pawley

Reported by: toby Owned by: somebody
Priority: major Milestone:
Component: Sequential Refinement Keywords:
Cc:

Description (last modified by toby)

Jon Wright suggests implementing a kind of an R-free that looks at the agreement between extracted intensities for a small fraction of peaks fitted as free variables vs. their computed values. Would need to implement the Pawley fit to be used on a selection of reflections across the pattern and then compute an R(F2) for just those reflections. (see http://www.nature.com/nature/journal/v496/n7446/full/nature12070.html)

Change History (1)

comment:1 Changed 8 years ago by toby

  • Description modified (diff)
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