[Ifeffit] SA and issue with importing into Artemis

[Bruce Ravel]

On Friday 09 November 2007 12:13:01 Richard Mayes wrote:
> Oops!  Forgot the attachments.  Sorry about that.
>
> I should also add, the file I'm trying to import into Artemis is
> "k_3.191_13.860".

Richard,

I don't think there is a problem.  Athena stores the un-k-weighted
data internally and applies the k-weight when you request a plot in k
or R space.  Similarly, Artemis imports the un-k-weighted data from
the Athena project file.  When Artemis plots the data in k or R space,
the k-weighting selected in those little radio buttons in the upper
right hand corner of the Artemis window, just beneath the label that
says "Plotting options".  If you click on the "3" button, then k^3
weighted data is plotted.

I am looking at k^3 weighted plots of your data from Athena and
Artemis as I write this.  I don't see a difference.  I suspect that
you are just being surprised by the details of how Artemis decides
what to plot.  See page 8 of this document:
   http://cars9.uchicago.edu/~ravel/talks/artemis.methyltin.pdf

Or am I not understanding your problem?
B



> -Richard
>
> > 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 shared.
> >
> > 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.
> >
> > Thanks!!
> > -Richard
> >
> > --
> > Richard Mayes
> >
> > Barnes Group
> > 450/452 Buehler Hall
> > Department of Chemistry
> > University of Tennessee
> > Knoxville, TN 37996



-- 
 Bruce Ravel  ----------------------------------- bravel at bnl.gov

 National Institute of Standards and Technology
 Building 535A, Room M7
 c/o Brookhaven National Laboratory
 Upton NY, 11973, USA

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/