This is not really a question for the Ifeffit-devel mailing list. I am
sending my response to the normal Ifeffit mailing list -- which is the
proper place for a question about using the software.

On Tuesday 17 March 2009 11:29:10 am Catalin Popescu wrote:
> I am trying to  align the theory and the data for one of my compounds. I
> have difficulties to import in Athena the chi(k)file saved in Artemis.
>  Whenever i saved my fit data as a chi (k) and I tried to import it in
> Athena i am asked to choose the right columns. I tried all the ways to
> choose the columns but it doesn't work.

How are you saving the chi(k) data from Artemis?  Athena expects that
its data are chi(k) and NOT k-weighted chi(k).  If you are saving the
data from Artemis as anything other than un-k-weighted chi(K), the
wrong thing will certainly happen in Athena.

When importing the chi(k) data back into Athena, you will want to
select the first column as k and the second column as chi(k).

> Whenever I want to check what I imported I don’t see the right
> chi. file so I am assuming that the file saved from Artemis is not
> saved as the right file. It’s weird because I know about the
> tutorials (MoO3 for example) in which you can import the theory file
> into Athena and after to align it to the data. In the case of the
> tutorial of Shelly Kelly (background removing procedure for MoO3)
> the file containing the theory file is included in .prj file. I am
> assuming that it was done directly from Feff. In my case I run the
> feff.inp file from Artemis. I already looked in the FAQ Sections and
> I only found how to transfer data from Athena to Artemis not the
> other way around. Also I saw that Athena import output files like
> chi.dat but this format is coming from Feff and is not present in
> Artemis.  Can you please suggest me a solution?



 Bruce Ravel  ------------------------------------

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
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 Upton NY, 11973

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