Hi all,
I've got some high resolution data from a synchrotron with quite a lot of
sample broadening. A quick go with a curve fitting program has shown that
the fitting a pseudo-voigt peakshape leads to a negative eta parameter. So
it is more that 100% "lorentzian" in character. I can get quite nice fits
to individual peaks with a sum of two lorentzians, or with the strange
pseudo-voigt. To refine the data I want to give a peakshape like this to a
Reitveld refinement program.
Can this be done with GSAS without using more than one crystallographic
phase? As far as I can tell the answer is no - can anyone tell me
otherwise or lend any handy hints? I'd like to be doing a combined fit of
this data with some high resolution TOF neutron data at some point in the
future, which seems to rule out many other programs.
Pointers to source code for a suitable peakshape (with an low angle
asymmetry correction) would be also be appreciated.
Thanks in advance,
Jon Wright
============================================================================
Dept. of Chemistry, Lensfield Road, Cambridge, CB2 1EW
Phone-Office 01223 (3)36396; Lab 01223 (3)36305; Home 01223 462024
