Powder Diffraction

Crystallography Education

R factors in Rietveld analysis: How good is good enough?

Brian H. Tobya1

a1 BESSRC/XOR, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois


The definitions for important Rietveld error indices are defined and discussed. It is shown that while smaller error index values indicate a better fit of a model to the data, wrong models with poor quality data may exhibit smaller values error index values than some superb models with very high quality data.

(Received December 19 2005)

(Accepted January 27 2006)