[Ifeffit] synthesis of EXAFS via larch

Matt Newville newville at cars.uchicago.edu
Mon Mar 19 13:53:55 CDT 2018


Hi Katy,

On Mon, Mar 19, 2018 at 12:39 PM, Katy Smith <katy.g.smith at gmail.com> wrote:

> Dear Colleagues,
>
> I am aiming to use Larch to synthesise EXAFS spectra for metal oxides and
> I wonder if that would be the right way. I can synthesise the paths in
> Demeter/Artemis but I have no idea how to sum them in order to obtain a
> single EXAFS spectrum. Hence, the interest in Larch hoping that it can do
> what I am looking for.
>
>
You might find the examples at
  http://xraypy.github.io/xraylarch/xafs/feffpaths.html

helpful.  In particular,

http://xraypy.github.io/xraylarch/xafs/feffpaths.html#example-adding-feff-files

shows how to sum paths together.  The Artemis GUI can help you do this, but
being able to do this at the scripting level (aka "the hard way") is really
not that hard, and can give you much more power.

--Matt Newville
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