Bruce, thanks for your help...look forward to seeing new version.
FYI I especially am interested using the "combinatorics" module of Athena's
LCF to test the uniqueness of some fits.I have a set of 30 models and PCA
tells me that a max of 5 models should explain the dataset. I have been
using SixPack for the fits, but it doesn't currently have the option to
specify testing the limited set of the permutations that I need (I want to
test every possible combination of 5 model compounds out of my set of 30
models).
andrea
________________________________________
Andrea L. Foster, PhD
U.S. Geological Survey, GMEG Science Center
345 Middlefield Rd., MS 901
Menlo Park, CA 94025
650-329-5437 (t)
650-329-5491 (f)
On Tue, Sep 16, 2014 at 1:36 PM, Bruce Ravel
On 09/15/2014 03:39 PM, Foster, Andrea wrote:
Bruce, attached are some data files...
btw looking through Athena manual I did find lots of helpful instructions on import, but not specifically on how to import chi(k) files. if you could let me know how to do it, that would be great!
Andrea,
The data were helpful. Thanks.
The thing I discovered is that Athena was making a number of mistakes related to importing chi(k) data. The reason for this (this is not an excuse, just an explanation of what happened) is that I assume that Athena users will start from raw data so she's much better tested when starting from raw data. Import of chi(k) data was kind of an afterthought for me and, therefore, rather poorly tested.
I think I have put Athena in a better state with respect to importing chi(k) data. I even found and fixed a rather serious problem with the LCF tool after importing chi(k) data. I think that which was your original motivation for sufffering through Athena's many shortcomings :)
I need to do some testing on Windows and then I'll need to build a pre-release package for you to try. All of that will take a few days. But I'll get there.
Thanks for your patience and thanks for reporting the problem in the first place. Demeter would be much much worse were it not for patient people reporting their problems using the codes.
Cheers, B
-- Bruce Ravel ------------------------------------ bravel@bnl.gov
National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973
Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit