[Ifeffit] Exporting XANES data as a .csv file

[Matt Newville]

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 <kjen296 at aucklanduni.ac.nz>
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
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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