[Ifeffit] Consult a few questions about XAS data analysis

Jun Ge gejun1995 at gmail.com
Tue Nov 14 00:21:38 CST 2017


Hi Bruce

I'm a learner for XAS data analysis because of the need of scientific
research.

I have been to SLAC in San Francisco three times last year and collected
some XAS data of samples and models in Beamline 7-3. This summer, I  began
to learn how to analyze these XAS data.

My professor used to use WinXAS to analyze data. But this time he asked me
to learn Athena.  He thinks use two different softwares can double check
the result.

After the data  pro-processing, including background  remove and data
normalization, etc., I save each spectrum in the form .txt.  However, *in
the same energy range and same file of sample and models, the result  of
LCF performed by WinXAS and Athena was totally different!* I try to solve
this problem for a long time but no progress was made. So I turn to you and
Ressler (the author of WinXAS) for help. I guess may be the algorithm is
different between your Athena with WinXAS, but I'm not sure. With great
experience in XAS data analysis, I think it's easy for you to solve this
problem, isn't it?

By the way,* I don't know how to fit the Coordination Number in another
software called Artemis* in the software package of Demeter.  I was told by
Artemis that the coordination number can only be a number not alphabet. So
I have no idea how to do this (yeah, I'm really a noob orz). And I don't
know how to set the parameter more correctly to run a excellent Feff fit.
So could you please help me?

Finally,* I want to learn XAS data analysis systematically. So could you
please recommend me some references like books or papers?*

Anyway, thanks a lot for your help and your precious time!


Sincerely,
Jun Ge
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