[Ifeffit] Consult a few questions about XAS data analysis

Zhang, Guanghui brighton30 at 126.com
Tue Nov 14 08:32:41 CST 2017


Jun,
You can find many of Bruce's presentations on XAS through this link.
http://bruceravel.github.io/XAS-Education/


Bruce also wrote a very nice Artemis user's guide. I would suggest you to take a look.
https://bruceravel.github.io/demeter/documents/Artemis/index.html




Good luck!


--

Regards,
Guanghui






 

At 2017-11-14 14:21:38, "Jun Ge" <gejun1995 at gmail.com> wrote:

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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