Yes, it was and still is common to remove some reflections from single
crystal data because of various more or less reasonable reasons but
I never heard somebody applying it to powder especially Rietveld data...
It makes no sense at all...
Dr. Peter Y. Zavalij University Crystallographer
Mat
It is not possible to exclude a single reflection in Rietveld since one
minimizes against the observed pattern not an Fobs table. It is possible
to exclude a region containing one or more peaks from the pattern, but
you would have to specify each region manually. Also, in the Rietveld
method, sigm
Are there any Rietveld programs with the capabilty to reject reflections
for which (Fobs - Fcal)/sigma(Fobs) is greater than a pre-stated value? I
can't find any such feature in GSAS nor Fullprof.
Thanks in advance,
Colin Lobban.
