On Thursday, September 29, 2011 11:26:08 am Kleper Rocha wrote:
I am trying to use the Artemis in Demeter to fit a spectra of Pt foil (data treated in Athena follow in attachement).
Hi Kleper, That's not Pt foil data. You got that data from the examples/recipes/Histogram/ folder in the source distribution. The data are from a nanoparticle, so the results you get will be quite different from a Pt foil. The purpose of the things in that folder are to demonstrate a still-experimental, largely undocumented interface in Artemis to the results of a molecular dynamics simulation.
I am utilizing the first shell coordination and, exactly as demonstrated in Bruce's videos, I put the parameters amp, enot, delr and ss. If I make all parameter as "guess" the fit is not good and the value of amp is low as expected from old Artemis. In this way, I make amp equal 1, delr equal 0, ss equal 0.003 and set these values. The enot was equal 5, maked as "guess" and the fit was made. The value found for enot was "grab" and then maked as "set". Then, the ss parameter was make as "guess" and when I press the Fit button, all windows of Artemis are closed. Please, what's the matter?
So, here's the thing about Demeter -- it's brand new software and still being beta tested. If it crashes, it's because you found a bug. It's not that you did something wrong -- you have found a problem that I need to correct. If you are running this on Windows, please send me the file %APPDATA%\demeter\dartemis.log, which contains the error messages associated with the crash you observed. On Windows XP, %APPDATA% = C:\Documents and Settings\<user name>\Application Data\ On Windows 7, %APPDATA = C:\Users\<user name>\AppData\Roaming If you are running this on linux, start artemis from the command line by typing "dartemis", then cut and paste the error messages from the crash into your email. When the new software crashes, a useful bug report contains those error messages. If you do not send me those error messages, I will not be able to help you. 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 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter