[Ifeffit] EXAFS fitting sum of all paths in R space

[Anatoly Frenkel]

...Basically, you need to sum different paths in k-space, save as chi(k),
then import to Athena, perform FT in the same range as your data, and then
the result should be the same as obtained in Artemis for the fit vs data.
That will preserve the phase relationships between different paths, while
your procedure does not have that information because you save magnitudes
of the paths.

Anatoly



On Wed, Sep 23, 2020 at 8:58 AM Ashwini Kumar Poswal <
poswalashwini at gmail.com> wrote:

> Dear All,
> I have one problem regarding the sum of all paths (R-space) after fitting.
> If we include many paths for the fitting, the fitting shows a good fit but
> after fitting, I select all paths and export (using Artemis [Data] window:
> save data + marked paths as |χ(R)|. I plotted all paths in origin as well
> as the sum of all paths. But when I add up all the contributions from all
> the paths, the deviation at larger paths is extraordinarily high and not
> equal to final fit. I am attaching a figure for illustration. It is clearly
> seen that the final fit is lesser compared to one of the path and the sum
> of all paths is quite high compared to fit (as shown in second figure. Can
> anybody suggest, how to sum different paths?
> [image: image.png]
> [image: image.png]
>
> Regards
> *Ashwini Kumar Poswal*
> *Mumbai*
> *Tel.-+91 (022) 25595081*
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