[Ifeffit] Re: XAFS Analysis using Ifeffit
Matt Newville
newville at cars.uchicago.edu
Wed Aug 2 07:23:04 CDT 2006
Dear Jana, (and Alojz and Iztok),
Thanks! I think that will help me a lot! I've looked at all of
these, but it may
take me some time to comprehend it all. The MPE in the CeO2 data looks
quite a bit like features I've seen in other rare-earth oxides. I thought that
this sharp feature wouldn't really damaging the EXAFS determination of
the RE-O distance/coordination number, but it's certainly better to (try to?)
model them than do nothing.
I'm still confused about the right way to handle these in practice. It
seems that
a choice of "arc-tangent", "lorenztian", or "mimic the shape of the main edge"
should work for most cases -- do you agree? It also seems there ought to be
a reasonable way for the algorithm to pick which of these lineshapes to use.
Anyway, thanks again!!
--Matt
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