[Ifeffit] Mathematical expressions for the path parameters in Fitting

Brandon Reese bjreese at gmail.com
Fri Sep 17 11:54:21 CDT 2010


Hi Shelly,

I am also looking into different ways to constrain my EXAFS fits.  If you
wouldn't mind, I would also be very interested in a copy of your book
chapter.

Thanks,
Brandon

On Fri, Sep 17, 2010 at 9:40 AM, Shelly Kelly <dr.sdkelly at gmail.com> wrote:

> Hi Sumit:
>
> There are a lot of different ways to constrain the EXAFS parameters in
> a fitting model. Mostly they are determined by physically meaningful
> relationships or through trial and error of "what works". I just sent
> you my book chapter and you will find detailed discussion on many of
> the common constraints in there. Another good place to look is in the
> literature to find out what people have done for systems similar to
> yours.
>
> HTH,
> Shelly
>
> On Fri, Sep 17, 2010 at 1:01 AM,  <sumitk at barc.gov.in> wrote:
> > Hello,
> > In EXAFS data modeling carried out by fitting excercise, we develop
> > mathematical expressions for  different path parametrs as functions of a
> > smaller set of fitting parameters that can be adjusted to achieve to best
> > fit to the data. I am carrying out EXAFS analysis of Eu(III) sorbed on
> > different environmentally relevent mineral oxides. In conection of this i
> > also analysed some reference standard compounds. In developing expression
> > for different path parameters, though i developed the expressions using
> my
> > own  understanding and taking help from one of Shelly's tutorial
> regarding
> > SnO2 case, i am not confident. Basically SS2, and deltaE expressions
> > puzzle me.
> > Could someone help me in understanding basic approach in developing their
> > expressions(for reference Eu2O3 structure could be taken).
> > Regards,
> > Sumit
> >
> >
> >
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