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 <kjen...@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. > _______________________________________________ > 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 > -- --Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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