Catalin, 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?
B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/