[Ifeffit] DAthena crashes when reconstructing data from PCA

Ravel, Bruce bravel at bnl.gov
Thu Jul 25 09:56:03 CDT 2013


Hi John,

Firstly, I should apologize for a very slow response.  Unfortunately, you posted your problem with PCA right before I went on travel for a while.  Back home, I have finally worked my way to this item on my to do list.

I am seeing the same problem you report on my own computer.  Don't know what the problem is yet, but I'll work on it.  I'll keep you posted and hopefully it will get resolved for the next release.

Cheers,
B


 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

________________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of John Hayes [ginger.jesus at usask.ca]
Sent: Wednesday, July 03, 2013 6:43 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] DAthena crashes when reconstructing data from PCA

Hi all,

I seem to be having some trouble with Athena crashing during the reconstruction step for some of my data when doing PCA analysis, and was wondering if anyone might have some insight. I I have attached a project file with the spectra in question (I realize they probably aren't normalized as well as they could be) and the dathena.log file, which is similar to Dr. Calvin's reported error log, aside from the PATH information. However, this is not an issue with Parallels, as I am using a 64 bit version of Windows 7.

Here, the issue I have is when reconstructing any of the files starting with TMF08-03 (in the attached "Combined - tailings.prj" project file). I am able to reconstruct all of the TMF08-01 files, and I have also successfully tried PCA/reconstruction on the files from the Au cyanobacteria example, so I do not believe it is an issue with my computer. To the extent that it may be an error with the TMF08-03 files, I have tried to re-import/re-work all the data, but this does not solve the problem, so it does not seems like the data itself is to blame. Perhaps the file names are presenting issues for Athena? (i.e. it might be confused if it is a standard or a sample?)

Any help on this issue is greatly appreciated. I apologize in advance for any omitted information or poor error reporting on my part, and thank you for your patience and support with this issue.

Cheers!

John


--
John Hayes

The Grosvenor Group
Dept. of Chemistry
University of Saskatchewan

“Somebody told me it was frightening how much topsoil we are losing each year, but I told that story around the campfire and nobody got scared.”





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