[Ifeffit] Exporting XANES data as a .csv file

[Kumar Jena]

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, <newville at cars.uchicago.edu>
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 <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
>> print this email.
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>
>
> --
> --Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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