[Ifeffit] problems re-opening Athena project

Matthew Marcus mamarcus at lbl.gov
Wed Sep 17 12:10:36 CDT 2014

There's a combination-fit program on the ALS 10.3.2 website https://sites.google.com/a/lbl.gov/microxas-lbl-gov/software .

On 9/17/2014 9:55 AM, Foster, Andrea wrote:
> 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 <bravel at bnl.gov <mailto:bravel at bnl.gov>> wrote:
>     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 at bnl.gov <mailto:bravel at 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/ <http://bruceravel.github.io/home/>
>       Software: https://github.com/bruceravel
>       Demeter: http://bruceravel.github.io/__demeter/ <http://bruceravel.github.io/demeter/>
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