Re: [Ifeffit] Consult a few questions about XAS data analysis

2017-11-14 Thread fred.mosselmans 
Hi Jun,

Two points so Bruce doesn't get two upset. If you included the Athena project 
you used for the lcf and maybe an excel file of the results you got, then 
someone could
Check what you did, as it is there is almost no way to offer an opinion on that.

Bruce gave a course at Dimaond several years ago now, but most of what he shows 
is relatively as true as it was the day he said it. The videos can be found 
here.
http://www.diamond.ac.uk/Beamlines/Spectroscopy/Techniques/XAS.html

The VLC media player works well with them.

Regards
Fred



J.F.W. Mosselmans
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Diamond Light Source Ltd
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OX11 0DE

P + 44 1235 778568
M + 44 7785510211
E fred.mosselm...@diamond.ac.uk
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Re: [Ifeffit] Consult a few questions about XAS data analysis

2017-11-14 Thread desmau 



Le 14.11.2017 15:32, Zhang, Guanghui a écrit :

Jun,
You can find many of Bruce's presentations on XAS through this link.
http://bruceravel.github.io/XAS-Education/ [1]

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 [2]


Good luck!

--

Regards,
Guanghui

At 2017-11-14 14:21:38, "Jun Ge"  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



Links:
--
[1] http://bruceravel.github.io/XAS-Education/
[2] https://bruceravel.github.io/demeter/documents/Artemis/index.html


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Re: [Ifeffit] Consult a few questions about XAS data analysis

2017-11-14 Thread Zhang, Guanghui 
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"  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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