[Ifeffit] new Athena, first release of Artemis

[Bruce Ravel]

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 at 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/