[Ifeffit] A small query on constricting mean square displacement in multi-edge EXAFS refinement

Badari Rao badari.rao at gmail.com
Wed Dec 3 22:29:51 CST 2014


Dear Scott,
Thank you for the answer.

Date: Wed, 3 Dec 2014 08:03:56 -0500
> From: Scott Calvin <scalvin at sarahlawrence.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] A small query on constricting mean square
>         displacement in multi-edge EXAFS refinement
> Message-ID: <A7199A7A-EA1B-4396-960B-301A94F68648 at slc.edu>
> Content-Type: text/plain; charset="utf-8"
>
> Yes.
>
> The only minor adjustment I can think of to that is something called the
> ?McMaster correction,? which adjusts for an oversimplification in the usual
> EXAFS method of normalization, and thus can be different for the two edges.
> But that correction is generally quite small, and the difference in it
> between two edges is even smaller.
>
> ?Scott Calvin
> Sarah Lawrence College
>
> > On Dec 3, 2014, at 7:54 AM, Badari Rao <badari.rao at gmail.com> wrote:
> >
> > Dear All,
> >
> > Suppose I have a compound, say AB. I have the EXAFS data from both
> A-edge as well as B-edge and I am simultaneously refining these data.
> > Would it be correct to force the mean square displacement of the A-B
> path in both the edges to be the same?
> >
> > -- Regards,
> > Badari Narayana. A. R.
> > Ph.D Student, Nanoscience and Nanotechnology,
> > c/o Prof Rajeev Ranjan,
> > Electroceramics Lab,
> > Department of Materials Engineering,
> > Indian Institute of Science.
> >
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
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>
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