Re: [Ifeffit] Exporting XANES data as a .csv file

Hi Matt, Thank you for taking time to reply. Really appreciate it. And the video lecture is super helpful. Kind regards, Kumar On Fri, 14 Apr 2023, 12:08 am Matt Newville, wrote:

Hi Kumar,

Just to echo Carlo's suggestion, you can import the Athena project into XAS Viewer and do the pre-edge peak fitting there. Pre-edge peak fitting is really significantly better in XAS Viewer than in Athena. There are more lineshapes available (including a non-pseudo Voigt) choices, and you can place upper/lower bounds on each variable in the fit. The Pre-Edge Peak panel starts by wanting to define a "baseline" function describing the main edge -- typically a line + a Lorentzian, and then you can add peaks from there.

There is a video on using this at https://www.youtube.com/watch?v=bd7PgaDpVc0

On Wed, Apr 12, 2023 at 10:53 PM Kumar Jena wrote:

...

Dear, all, I am a new XAS user. I have done preprocessing of my data in Athena and have been trying to export the XANES data as a .csv file. I would like to fit the pre-peak region to pseudo-Voigt line shapes to extract approximate relative intensities of various transitions (A1, A2, A3, and B). Attached is a screenshot from an article for your reference ( https://doi.org/10.1021/jp981644k).

Is it possible to do so in Athena?

Any help would be appreciated. Kind regards, Kumar

[image: image.png] -- [image: University of Auckland (UOA) - WEGO-ITN] *Kumar Debajyoti Jena* *M.Tech (IIT Kanpur)* *Ph.D. Student* Department of Chemical and Materials Engineering Faculty of Engineering The University of Auckland Mob: *(+64) 225155447* *THERE IS NO PLAN*ET *B*. Please think of the environment before you print this email. _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

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