[Ifeffit] SA and issue with importing into Artemis

Richard Mayes mayes at ion.chem.utk.edu
Fri Nov 9 11:09:45 CST 2007

Everyone, thanks for the info on self absorption!  I'm currently working
on writing a short summary for our group based on the information everyone

Bruce, I'm having an issue importing a k3-weighted project into Artemis
from Athena.  (I looked on the mail list and your webpage for a bug report
and couldn't find one, my apologies if I missed it.)

The problem:  I'm trying to import a k3-weighted spectrum into Artemis,
but it appears to be importing the k2-weighted spectrum instead.  I don't
know if this is related or a change between versions of Artemis, but the
k-weight used in Athena isn't being carried over into Artemis as the fit
k-weight as well.  Attached is the Athena and Artemis projects showing
this and a pdf with pics of the 2 spectra I'm seeing (in case this is an
issue only on my computer).  I tried changing the group name and deleting
all the groups in Athena except the one I wanted and this still occurs.

Any ideas on how to get around this?

FYI:  I'm running Athena (0.8.054) and Artemis (0.8.011) on a laptop (1.7
GHz Pentium M processor & 2 GB RAM) with Windows XP Pro.


Richard Mayes

Barnes Group
450/452 Buehler Hall
Department of Chemistry
University of Tennessee
Knoxville, TN 37996

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