[Ifeffit] Per-data set R-factor
Bruce Ravel
bravel at bnl.gov
Fri Dec 21 12:43:44 CST 2012
Lyle,
Thanks for your email. It is easy to let items on the to do list
languish if no one makes any noise. Knowing that you are interested
is helpful.
To be honest, I cannot remember why I disabled that feature. I'll
look into it. Perhaps I'll be able to get it into the next release.
In the immediate, you certainly can compute it. You can save the data
and fit to a column data file and do whatever statistical assessment
you want.
The question about automated export of the data is an interesting
one. Currently, Artemis does not offer to do things like write column
data file output at the end of a fit, but that is reasonable and maybe
even useful. I'll think about that as well.
Cheers,
B
On Thursday, December 20, 2012 11:19:57 PM Lyle Gordon wrote:
> Dear iffefit users,
>
> I am using the latest version of Demeter/Artemis to fit some EXAFS
> data. I'm running Win 7 64.
>
> I found in Horae that when I fit multiple datasets it would output the
> R-factor for each dataset in the fit. I would really like these values
> in the newest version.
>
> I found on the todo list
> (https://github.com/bruceravel/demeter/blob/master/todo.org)
>
> [ ] per-data set R-factor reporting in log file is turned off.
>
> Is there a simple way to turn this "on"?
>
> If not I guess I can calculate it by hand from the Re/Im terms of the
> R space data and fit. To that end, if I have a few datasets it is
> tedious to export the data/fit files for each sample. Is there an
> automated way to export this data?
>
> Thanks very much,
> Lyle
>
> --
> Lyle Gordon
> Department of Materials Science and Engineering
> Northwestern University
>
> 2220 Campus Drive
> Cook Hall 2036
> Evanston, IL 60208
>
> Tel: (847) 491-3584
> Mobile: (847) 400-4071
> http://lylegordon.ca
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--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
Homepage: http://xafs.org/BruceRavel
Software: https://github.com/bruceravel
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