[Ifeffit] Project files and fits

Bruce Ravel ravel at phys.washington.edu
Thu Sep 2 07:57:04 CDT 2004

On Thursday 02 September 2004 06:59 am, Stefano Ciurli wrote:
> Bruce,
> it would be nice to save, in a project file, also the fit that one
> has performed. Right now the project files I save do not contain the
> fit.
> Is this something to improve or is it me who does not use the program
> correctly?


That is a splendid idea.  In fact it is such a good idea that I have
been working hard for the past three weeks on exactly that.

Actually, my plan is a bit more ambitious.  Artemis will save *every*
fit you perform along with its log file and some other information
into the project.  Each fit will get its own entry in the list of data
and paths -- that means that you will be able to plot several fits
along with the data in order to see what effect each change has on the
quality of fit.  And since each log file is saved, you can do things
like generate reports on the log files to see how the R-factor,
chi-square, and guess parameters have evolved with every change in the
fitting model.

This is already available in a limited, buggy form in the new
development code in the latest source tarball.  I am hoping to
transition these features into the stable version by the end of the
year.  Something to look foward to...


 Bruce Ravel  ----------------------------------- ravel at 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/

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