A couple of months ago there was a discussion going on about making nice
and publicable diffraction patterns once a refinement using GSAS was
finished. Given the amount of interest in my routine in IGOR PRO, i have
made this now available to everyone using an anonymous FTP site:
Linux.icl.ox.ac.uk. You will find four files (diffmaker, igorhist.f,
igorref.f, readme.1st) in the directory pub/jaap/. Diffmaker is a macro
for the use with IGOR PRO and makes very nice plots from GSAS data using
hstdmp and reflist. It will show tick marks and all. Plus choices of font
etc, and a wide variety of data is excepted, TOF, and CW, neutron and
X-rays. The two fortran programs (*.f) do a bit of reformating of the
files obtained usinf the GSAS routines hstdmp and reflist. Igorhist also
solves a bug in HSTDMP when the TOF exceeds 100msecs. It works fine with
the latest versions of GSAS as distributed by Brian Toby (Silicon
Graphics and Linux) and by Bob Von Dreele (PC but NOT Silicon Graphics).
If you are interested please give it a try and tell me about your
experiences!
Jaap Vente
Inorganic Chemistry Laboratory
Department of Chemistry
University of Oxford
South Parks Road
Oxford, OX1 3QR
United Kingdom
E-mail: jaap.vente@chem.ox.ac.uk
tel: (..44)(0)1865-272602
Fax: (..44)(0)1865-272690