Sorry, datafile attached.
Also sorry that I sent the original email twice - I got an automatic email from the Argonne labs virus checker that I assumed was from the mailing list, but I now have half a dozen of them so I assume they were actually sent when the email was delivered to individual recipients.
Thanks,
Ian
----
Ian Godfrey
PhD Student,
UCL/JAIST Programme,
Industrial Doctorate Centre in Molecular Modelling and Materials Science,
Department of Chemistry,
University College London.
i.godfrey@ucl.ac.uk
02076 794864
________________________________________
From: ifeffit-bounces@millenia.cars.aps.anl.gov
Dear All,
I'm encountering a problem whenever I save a fitting project in Artemis (I have tried both the "Save Project" and "Save Current Fit" options from the file menu) and then try to reopen it . I have only encountered the issue with quick first shell fits, but I haven't tried anything else recently. Specifically the parameters in the paths list are reset to their default value (while those in the GDS window are not) when I reopen the file and when I try and fit the data again Artemis gives a message that:
/"This data file does not exist"/
The data file has not been moved, deleted or otherwise modified on my computer.
//
It may be relevant that I'm not importing an Athena project into Artemis, but I'm importing a chi(k) file (*.cho) exported from Viper (https://www.cells.es/Beamlines/CLAESS/software/viper.html) (export chi(k) on original grid).
I also frequently get a/"perl.exe has stopped working A problem caused the programme to stop working correctly. Windows will close the program and notify you if a solution is available" /error from Windows when exiting Artemis, which could be related.
I have attached Artemis log files from running the software to both save and open a project and I have attached an example problematic project file.
To reproduce:
* Start Artemis * File > Import > chi(k) data * Import a chi(k) data file * Set up a quick first shell fit * Customise some of the parameter names * Run a fit * File > Save Current Fit or File > Save Project (as) * Close Artemis * Reopen the saved project file * The parameter names in the paths list have been reset to their default (but those in GDS have not) * Run a fit * Artemis will complain that the data file is missing
If anyone has any suggestions for a workaround or knows whether this is a bug in Artemis or a problem at my end I'd be grateful to hear.
Thanks,
Ian
----
Ian Godfrey
PhD Student,
UCL/JAIST Programme,
Industrial Doctorate Centre in Molecular Modelling and Materials Science,
Department of Chemistry,
University College London.
i.godfrey@ucl.ac.uk mailto:i.godfrey@ucl.ac.uk
02076 794864
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- 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://xafs.org/BruceRavel Software: https://github.com/bruceravel _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit