I've been lurking on this list for over a month so I thought I'd better formally
say hello.
My name is Tony Bell and I work on the UK Synchrotron Radiation Source at
Daresbury Laboratory. I refine crystal structures from synchrotron x-ray powder
diffraction patterns and I help synchrotron users with their data collection and
analysis. I've been here at Daresbury for 4 years, before that I had 5 years in
industry mostly doing powder diffraction for phase analysis.
Here at Daresbury we use programs in the Powder Diffraction Program Library for
data analysis, these programs are so written so that output from one program
can be used as input for another. The Rietveld program that I use is called
MPROF, earlier this week I sent some sample input files and some documentation
to Lachlan Cranswick as he wanted some input data to test for the ATOMS
software. After using MPROF for 4 years I think its a good program although it
is optimised for analysis of Daresbury data so I suppose I would think that.
The only other Rietveld program I use is DBWS as part of the Molecular
Simulations "CERIUS" software. I think this package is very user friendly and
has amazing graphics but the actual Rietveld package is limited, I can't use it
to refine as many parameters as I can with MPROF and the CERIUS Rietveld does
not have any constraints options for constraining bond lengths etc. I understand
from the Molecular Simulations people that an improved Rietveld package will be
coming out sometime this year, hopefully this will be better than DBWS.
Most of my own research is on silicate framework structures, e.g. zeolites,
leucites. See A.M.T.Bell et al Acta Cryst (1994) B50 31-41 for an example of my
recent work.
My current contract at Daresbury expires next April, I hope to be able to carry
on working at Daresbury after that but I have nothing definite yet. If any of
you folks out in Rietveld-land want someone to come and analyse your data send
me an email message.
best wishes
-- tony bell A.M.T.Bell@dl.ac.ukcrystallographer and marathon runner (but not necessarily in that order :-))engineering and physical science research councildaresbury laboratory, daresbury, warrington, cheshire, UK. WA4 4AD.