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RE: [sdpd] error measurements
I think the main 2 R-factors should be Rp and R(bragg) or R(F2) of course
with background subtracted.
>From my point these 2 values characterize Rietveld refinement similarly to
Rw and RF in single crystal refinement. The other R-factors especially Rwp
and Rexp should be taking into account as additional merits as well.
On the other hand Armel is right simple look on the difference plot and
other refinement parameters and restrictions can tell a lot about the
structure quality too.
It seems that some work on powder CIF is going on right now and it would be
also useful what are IUCr requirements for submission of the powder
refinement in Acta Cryst.
Dr. Peter Y. Zavalij University Crystallographer
Materials Research Center, SUNY at Binghamton
Tel: (607)777-4298 Fax: (607)777-4623
E-mail:zavalij...@binghamton.edu
http://materials.binghamton.edu/zavalij