Howdy folks, Today I am pleased to announce a new release of Athena and the first release of Artemis. These are source code only releases -- I have not yet built Windows binaries. But those of you on unix machines can grab the latest and try them out. Get the latest from the normal spot: http://feff.phys.washington.edu/~ravel/software/exafs/ See some Artemis screenshots at the bottom of http://feff.phys.washington.edu/~ravel/software/exafs/screenshots.html Athena: The new features are: 1. An on-line document in the Help menu 2. Plotting difference spectra and making data groups containing difference spectra 3. Plot chi(E) (by which I mean k-weighted chi(k) but with the x-axis converted to energy) 4. Several minor improvements to the on-screen display and to the example files Artemis: Be kind. This is an initial release. ;-) Many features are missing. Many features that are present may not work quite right. But it does fit and plot. That's a big step! It cannot currently do multiple data sets, but it can handle feffNNNN.dat files from multiple feff calculations. Probably the best way to start using Artemis is to open the example project file for FCC copper (examples/Cu/cu.apj). Artemis can currently plot things in k, R, or q. It can do fits or simply evaluate the path parameters and do a sum of paths like ff2chi. To start a project of your own, do the following: 1. Read in a chi(k) data file by selecting "Open data" from the File menu. 2. Read in a feff calculation by selecting "Open FEFF calculation" form the File menu and selecting the feff.inp file from the relevant feff calculation. (You need to have already run feff, Artemis is expecting to find the feffNNNN.dat files.) 3. Click on "Guess, Set, Def" in the column on the right and define some fitting parameters. 4. Click on "Data' in the right column and set the fitting and FT parameters. 5. Click on all the paths that you want to include in the fits and define the path parameters. Like in FEFFIT, this is the time consuming part of the process. I am open to suggestions for helpful functionality in that part of the code. 6. Once that is all done, click on the Fit button. 7. Make plots by selecting things to plot from the right column and clicking on the appropriate plot button. The list uses extended selection, thus you can click and drag to select multiple items. You can also control-click to select multiple, disjoint items for plotting. Play around, let me know what breaks and what needs to be added. Remember that Athena changed A LOT in the first few months as Shelly and Matt and others gave me feedback. It took a while, but she went from a shaky, buggy beginning to being a useful, solid utility. Artemis will get there, too, but I need your help to get through the initial growing pains. Regards, Bruce -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu U.S. Naval Research Laboratory, Code 6134 phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b, X24c, U4b 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/
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Bruce Ravel