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
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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- 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 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
participants (2)
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Bruce Ravel -
Lyle Gordon