[Ifeffit] to Gael Poirier

[Bruce Ravel]

Hi folks,

Recently Gael Poirier has been having a problem using Athena with some
XANES data.  For whatever reason, when I send mail to Gael it gets
bounced back.  But he seems to receive mail from the mailing list.

Go figure.

Sorry for filling up people mail boxes, but I am using the list to
send this along...

B

===============================================================


Gael,

Thanks for sending the data.  It is now clear what went wrong.

I recently made a change in how Athena tries to detect xanes data,
that is data that does not extend very far into the extended region.
The advantage of identifying data that is xanes and not exafs is that
Athena then does not have to do a background removal, which saves a
little bit of time doing chores like alignment and normalization.
Sadly, you have uncovered a bug.  That happens.

Your bug is that the kmax for the fourier transform gets set to when
the data are imported as xanes.  Then Athena mistakenly aborts when it
sees this, even though no FT will be performed.  Oops!

Fortunately there is an easy work-around.  When you import the data,
explicitly import them as mu(E) rather than xanes(E).  The only
draw-back of doing so is that Athena will do a background removal
every time you change the normalization parameters.  That's not a big
loss.

Thanks for pointing this out.  I will certainly fix this in the next
release.

-- 
 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/