Rietveld Patterns in the PDF
kaduk@amoco.com
Mon, 13 Nov 95 10:37:07 -0600
The issue of how (or whether) to include Rietveld patterns in the PDF
has caused a lot of heated discussion at the ICDD meetings, and the
current state may be the "least unsatisfactory" one.
My personal opinion (not shared by many others) is that the peak
positions and intensities derived from a profile fit (either with or
without a structure model) represent the best estimate of what is
really in the pattern - the reflections are there no matter how we
describe them. When using a structural model, the Fobs derived from a
profile fit are "biased" by the model, but so what? They're still
better than any other measure I know.
James A. Kaduk
Amoco Corporation
P.O. Box 3011 MC F-9
150 W. Warrenville Rd.
Naperville IL 60566
708-420-4547
708-420-5252 (FAX)
kaduk@amoco.com