[Ifeffit] Athena crash during LCA

Matt Newville newville at cars.uchicago.edu
Sat Jan 8 09:07:42 CST 2011

Hi Scott,

Like for Jeff,  the chi(k) LCA fit works for me with Athea 0.8.061 on
OSX 10.6.   If I had to make a guess or recommendation for something
to try it would be this:

Standard2 extends to pretty far out in K (>20Ang^-1) and Standard2 is
pretty glitchy beyond 12Ang^-1 or so.  You might try truncating the
data and/or removing the obvious glitches before doing the background
subtraction and LCA fit.
Again, that's a guess.

Does the latest iXAFS3 not work for you on 10.5.8?  I haven't tried
it, but the intention was that it would work on 10.5.


On Fri, Jan 7, 2011 at 8:07 PM, Scott Calvin <dr.scott.calvin at gmail.com> wrote:
> Hi all,
> Athena has been crashing for me during one particular linear combination
> analysis, and I'm wondering if any of you have an explanation. A project
> file which demonstrates the problem is attached. I am using Athena 0.8.054
> with ifeffit 1.2.10 on a MacBook Pro using OS 10.5.8.
> The behavior can be seen by trying to fit the Data group by using a linear
> combination of Standard 1 and Standard 2 in chi(k). It gets as far as
> "plotting in k-space from group 'Data'...done!' and then hangs, with the
> watch icon remaining indefinitely. This doesn't happen in norm(E) or
> deriv(E) fits, and doesn't happen when Standard 1 is not used. But Standard
> 1 appears to have uncorrupted chi(k) data when plotted directly. Standard 1
> is from one of the XDAC lines at NSLS, as are the standards that work.
> I've tried saving Standard 1 and reading it in as a new group, but no luck.
> I've also looked at the data in Standard 1, and I don't see anything out of
> place, such as a place where the energy backs up. I've tried starting the
> chi(k) file with zero values, truncating the end values, and changing the
> background spline to end at the same point the data does. And it always
> hangs at the same point.
> Any ideas? I'd like to use this data for a workshop next week!
> --Scott Calvin
> Faculty at Sarah Lawrence College
> Currently on sabbatical at Stanford Synchrotron Radiation Laboratory
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