I am wondering if members of this list can help me find some free/cheap
PC/Mac/Unix-based curve-fitting software (preferably in executable form).
The application is fitting of individual, well-resolved XRD theta-2theta
(Ka1+2) peaks with a pseudo-Voigt function.
So far, I have been using Kaleidagraph on a Macintosh, but this limits one
to 9 refinable variables, which isn't enough (+ it's a bit slow!). Ideally,
I'd like to be able to refine up to 30 or so variables, since some spectra
do have overlapping peaks.
These are spectra of very-highly-textured thin films on single crystal
substrates (generally Si). A Typical spectrum has 3 peaks (Si(004),
ZnO(002) and (004)). I do not have an instrumental broadening calibration
and, hence, cannot produce U,V,W values for an instrumental broadening fit.
I have found some commercial software which looks like it would do the job
(it's called PeakSolve) but, at GBP600+, it's priced well out of our budget
for this.
Thanks in advance for any assistance.
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Dr. S.L. King
Dept. Electronics and Electrical Engineering,
University College London
Torrington Place,
London WC1E 7JE
England
Tel. : (+44) 171 387 7050 x 3196
Fax. : (+44) 171 387 4350
Email: sking@eleceng.ucl.ac.uk