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@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 

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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

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