[Ifeffit] Automatically doing many fits / Scripting

Felix E. Feiten feiten at cat.hokudai.ac.jp
Fri Jun 16 04:39:15 CDT 2017


Dear Ifeffit mailing-list,

first of all sorry for writing another mail to the list in such a short 
time span, I hope people will not get sick of me too quickly.

I want to do many fits for the same data with varying start-parameters. 
More specifically, I am doing fits to EXAFS data of the Pt L3 edge of 
PtCo(X) nanoparticles and want to vary sigma^2 for each of the two paths 
(Pt-Pt and Pt-Co) that I fit. I want to 1. start a fit with certain 
parameters, 2. save the log file, 3. change one parameter many (120 for 
now) times.

If there is no functionality to do this in Artemis I'll have to resort 
to using some external script that abuses Artemis. In that case I will 
report on how it went. But obviously, it would be much more comfortable 
if Artemis had something like this implemented.

Any way to start a fit from the windows command line (I'm using Windows 
10) would also be very helpful as that would probably allow me to do the 
scripting in PowerShell relatively easily.

With kind regards,

Felix




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