issues with Athena (new Demeter package)
Hi All, I experience two issues with Athena of the updated new Demeter package, which it would be easier to describe: 1) when I open successively two .prj files that contain each a fitted spectrum, Athena seems to remember only the positions, widths and amplitudes of arctan and gaussian curves of the spectrum I open first; this translates to the fact that for the other fitted spectra that I open afterwards, it remembers the peak positions, widths and amplitudes of the curves belonging to the initially opened spectrum. The result of this issue is that I need to enter manually each time these values in order to get the fits back again - do you have any suggestions how this can be fixed?; 2) another issue is that after spectra calibrations, the spectrum does not appear to be calibrated. More specifically, when one checks the centroid positions of arctan or gaussian curves directly on the spectrum, the values don't correspond with the ones in the boxes, which I believe that means the calibration did not happen after all. Thank you very much in advance for any suggestions or ideas! Best wishes, Adrian ******************* Adrian Gainar PhD student Office: D37 School of Chemical Engineering and Analytical Science Jackson's Mill University of Manchester Manchester M13 9PL UK e-mail address contact: adrian.gainar@postgrad.manchester.ac.ukmailto:adrian.gainar@postgrad.manchester.ac.uk office telephone no.: +44(0)161 306 4362
HI, Peak fitting has long been the weakest part of Athena. I recently discovered a bug that relates to your point 2. Interestingly, I think this bug dates all the way back to the old version of Athena. I am hoping to make a new release this week -- you'll have to let me know if that's true. As for the first question, persistence of results for peak fitting, LCF and PCA is not implemented in any way in Athena. There is no work around. If you scroll down my to do list for Demeter at https://github.com/bruceravel/demeter/blob/master/todo.org you will see persistence prominently on display. The best I can offer is to try to get that implemented in the next release after the one coming up. B 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 ________________________________________ From: ifeffit-bounces@millenia.cars.aps.anl.gov [ifeffit-bounces@millenia.cars.aps.anl.gov] on behalf of Adrian Gainar [adrian.gainar@postgrad.manchester.ac.uk] Sent: Monday, August 12, 2013 11:29 AM To: ifeffit@millenia.cars.aps.anl.gov Cc: Sven Schroeder Subject: [Ifeffit] issues with Athena (new Demeter package) Hi All, I experience two issues with Athena of the updated new Demeter package, which it would be easier to describe: 1) when I open successively two .prj files that contain each a fitted spectrum, Athena seems to remember only the positions, widths and amplitudes of arctan and gaussian curves of the spectrum I open first; this translates to the fact that for the other fitted spectra that I open afterwards, it remembers the peak positions, widths and amplitudes of the curves belonging to the initially opened spectrum. The result of this issue is that I need to enter manually each time these values in order to get the fits back again - do you have any suggestions how this can be fixed?; 2) another issue is that after spectra calibrations, the spectrum does not appear to be calibrated. More specifically, when one checks the centroid positions of arctan or gaussian curves directly on the spectrum, the values don't correspond with the ones in the boxes, which I believe that means the calibration did not happen after all. Thank you very much in advance for any suggestions or ideas! Best wishes, Adrian ******************* Adrian Gainar PhD student Office: D37 School of Chemical Engineering and Analytical Science Jackson's Mill University of Manchester Manchester M13 9PL UK e-mail address contact: adrian.gainar@postgrad.manchester.ac.ukmailto:adrian.gainar@postgrad.manchester.ac.uk office telephone no.: +44(0)161 306 4362
participants (2)
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Adrian Gainar
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Ravel, Bruce