[Ifeffit] a question about the white line
Barton, David (DG)
DGBarton at dow.com
Wed Dec 8 14:41:51 CST 2004
Friends,
Thanks Bruce for forwarding the question to the Ifeffit mailing list regarding background subtraction for samples with strong white lines.
The Re sample that sparked the question is attached (white line >3mu). The data is
not perfect, but it is good enough for discussion. My first approach to
subtracting the background was similar to what Matt mentioned (Matt said: "I know
others regularly use kmin >1"), this method seemed to work fairly well using kmin=
1.5 and Rbkg = 1.0. I then used Matt's suggestion to shift the Eo and keep kmin =
0.5, this method ultimately gave a similar subtraction albeit with a phase shift
that should be taken care of when the data is fit to theory. It will be interesting
to compare the results of the fit using these two methods of background subtraction,
especially the first shell which is a Re-CO that has a short distance and is
sensitive to background subtraction.
Thanks,
Dave
_________________________________
David Barton, PhD
The Dow Chemical Company
Catalysis R&D
1776 Building
Midland, MI 48674 USA
Ph: (989) 636-4753 Fax: (989) 638-6225
Email: dgbarton at dow.com
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