Dear All,
Following the discussion about fundamental parameters
approach (which was very helpful), I have a few more
questions regarding the profile functions and their
refining. I apologise if they seem very trivial (or
plain stupid).
We have a Philips PW3040 X'celerator running in a flat
plate Bragg-Brentano geometry. My interest would be to
calculate the domain size. The X'pert suit of programs
includes a Scherrer calculator. Is it but better to
use other programs like Breadth (double voigt) for
more accurate results ? Or GSAS suit will do the job?
While profile fitting, how does one choose which
profile to fit? Is it by trial or does it in anyway
depend on the instrument or geometry. For eg. while
trying XFit, I could see that the options run to
fundamental parameters also and previous discussions
pointed to a dependency of fundamental parameters
approach to the geometry.
For using Double Voigt, how can I obtain the
Lorentzian and Gaussian contributions?
Any advice in this matter will be highly appreciated
since I am in the woods so to speak in getting
accurate size distributions in our samples.
Thanks in advance,
Nandini
N. Radhamonyamma
School of Chemistry
Queen's University Belfast
Belfast BT9 5AG
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