"R" mark in the JCPDS-ICDD
armel@ONE.univ-lemans.fr
Sat, 11 Nov 1995 11:24:13 GMT
Hi all,
A subject for discussion. Please reply to all. Two years ago
a colleague and me submitted a paper to the Powder Diffraction
journal. It was a simple ab initio structure determination. We
faced the problem to give the dobs, Iobs and hkl list. The paper
was constructed in order to defend the point of view that the
Iobs should be the "Iobs" from the final Rietveld refinement.
Moreover, we proposed to put a "R" mark on the JCPDS files which
would present such Rietveld data. Note that a problem is that
we could have all "Iobs", all dcalcs, all hkls, but certainly not
all dobs in the ICDD-JCPDS sense...
This part of the article was not accepted. The editor suggested
us to rebuild it and to submit our views to ICDD, arguing that they
were already considering this possibility for a "R" mark. We do it.
Since that, no response from ICDD.
Opinions ?
Armel Le Bail - Laboratoire des Fluorures, CNRS-URA-449,
Universite du Maine, 72017 Le Mans Cedex, FRANCE -
armel@ONE.univ-lemans.fr