Dear mailing list users, I am trying to fit the spline background function in a proper way to a spectrum (Ga K edge, see attached). However, it doesn't seem to work out, but I don't see why. I already tried the following: * Vary the Rbkg value * Change spline k-weight * Change k-range of spline fitting * Alter the strength of spline clamps ... and the combination of these effects. Since there is a strong white line, I suspect this causes the spline misfit. The data quality is OK. If you have any idea, please post it. Thanks in advance, Matthias _____________________ Matthias Filez Laboratory for Chemical Technology Department of Chemical Engineering Ghent University Technologiepark 914, B-9052 Zwijnaarde, Belgium +32 (0)9 33 11721 www.lct.ugent.behttp://www.lct.ugent.be/ Disclaimer: http://helpdesk.UGent.be/e-maildisclaimer.phphttp://helpdesk.ugent.be/e-maildisclaimer.php
Move E0 past the white line and that should fix the problem. Chris Sent from my iPhone
On Aug 29, 2014, at 3:13 AM, Matthias Filez
wrote: Dear mailing list users,
I am trying to fit the spline background function in a proper way to a spectrum (Ga K edge, see attached). However, it doesn't seem to work out, but I don't see why.
I already tried the following: * Vary the Rbkg value * Change spline k-weight * Change k-range of spline fitting * Alter the strength of spline clamps ... and the combination of these effects.
Since there is a strong white line, I suspect this causes the spline misfit. The data quality is OK. If you have any idea, please post it.
Thanks in advance, Matthias _____________________ Matthias Filez Laboratory for Chemical Technology Department of Chemical Engineering Ghent University
Technologiepark 914, B-9052 Zwijnaarde, Belgium +32 (0)9 33 11721 www.lct.ugent.be Disclaimer: http://helpdesk.UGent.be/e-maildisclaimer.php
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi Matthias,
I don't see a problem with this background removal (using Rbkg=1.0 and
kweight=3 as in your project file). The mu0 spline does shoot up (to
perhaps a value of 3 for the normalized XAFS) whereas the data goes to
about 1.8 (again, for normalized XAFS). Mu0 then drops down into the
range of the data within 5 eV.
This is fairly normal for the AUTOBK algorithm. It's not even looking at
mu(E), but rather at the Fourier transform. So to first order it doesn't
care (and, I'll argue, neither should you) about what happens at the end
points, especially at low k. You're going to k-weight the chi(k) spectra
anyway. That will multiply the low k portion of the spectra by a very
small number over the first few eV -- asserting that chi(k) below 1 or 2
Ang^{-1} doesn't matter.
You can use the "low energy spline clamp" to force the mu0 spline to vary
less at low energy. Even setting this to "weak" in Athena should change
mu0 to be much closer to the data value at E0. If anything, that probably
over compensates.
--Matt
On Fri, Aug 29, 2014 at 2:13 AM, Matthias Filez
Dear mailing list users,
I am trying to fit the spline background function in a proper way to a spectrum (Ga K edge, see attached). However, it doesn't seem to work out, but I don't see why.
I already tried the following: * Vary the Rbkg value * Change spline k-weight * Change k-range of spline fitting * Alter the strength of spline clamps ... and the combination of these effects.
Since there is a strong white line, I suspect this causes the spline misfit. The data quality is OK. If you have any idea, please post it.
Thanks in advance, Matthias
_____________________
Matthias Filez
Laboratory for Chemical Technology
Department of Chemical Engineering
Ghent University
Technologiepark 914, B-9052 Zwijnaarde, Belgium +32 (0)9 33 11721 www.lct.ugent.be
Disclaimer: http://helpdesk.UGent.be/e-maildisclaimer.php http://helpdesk.ugent.be/e-maildisclaimer.php
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
participants (3)
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Chris Patridge
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Matt Newville
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Matthias Filez