look what happens when you go away for a day!
Hi! Yesterday I spent the day away from the office. This morning I saw an impressive number of bugs and other issues reported in the short span that I wasn't paying attention. ;-) ** Mauro mentioned a problem changing between the raw and column views of a log file. I cannot reproduce this behavior. Mauro, can you send me a project file that demonstrates this? ** Paul mentioned a number of problems regarding data import. At least one of them seems to be the same problem Michel Jaouen mentioned in private email the day before. Matt, in his response, explained the problem exactly. Silly bug by me. ** Chachi mentioned a confusing error message from Feff. Matt explained the situation. The next versions of both the stable and development branch of Artemis will issue a much clearer error message in the situation Chachi reported. I will make a new release of the source code tarball this week. A windows updater package will follow shortly. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
Hi Bruce, just to throw another one in :) ATHENA has the following problem - I make a linear combination fit of two spectra and put the result in a group. Then I want to export it using the "save groups as..." and.... just get zero's in the file. Using the IFEFFIT buffer and saving the corresponding array with the write_data() command works fine - maybe there's a renaming bug of the corresponding array? Furthermore, the fit looks shifted as soon as written to an array. When I fit (the 3rd spectrum in the example with a LC of the first two) everything looks nice. The saved LC is, however, shifted compared to the one seen during the fit. Furthermore, I cannot change any parameter of this (LC) group... Cheers, Norbert -- Dr. rer. nat. Norbert Weiher (norbert.weiher@manchester.ac.uk) School of Chemical Engineering and Analytical Science Sackville Street, Manchester, M60 1QD - Phone: +44 161 306 4468
On Wednesday 12 January 2005 09:38 am, Norbert Weiher wrote:
just to throw another one in :)
The more the merrier!
ATHENA has the following problem - I make a linear combination fit of two spectra and put the result in a group. Then I want to export it using the "save groups as..." and.... just get zero's in the file. Using the IFEFFIT buffer and saving the corresponding array with the write_data() command works fine - maybe there's a renaming bug of the corresponding array? Furthermore, the fit looks shifted as soon as written to an array. When I fit (the 3rd spectrum in the example with a LC of the first two) everything looks nice. The saved LC is, however, shifted compared to the one seen during the fit. Furthermore, I cannot change any parameter of this (LC) group...
You are correct on all counts. The energy shift was due to the fact that I applied the e0 shift of the unknown data group twice to the LCF data group. Oops! I am not completely sure why it was being saved as all zeros, but fixing other problems also solved that. You could not change the parameters because, long ago, I had decided to save the LCF-in-energy data as a detector group. My thought was that an artificial data group should not be analyzed like real data. There really isn't a good reason why the LCF-in-energy group should not be treated that way. For instance, it might be interesting to remove the background from the LCF-in-energy group to see if its chi(k) looks like the chi(k) of the unknown data. In any case, I changed that so now you can treat LCF-in-energy data just like real measured data. All of those fixes will be in the next release. Thanks, Norbert! B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
participants (2)
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Bruce Ravel -
Norbert Weiher