book chapter

15 Jan 2009

      Dr. Kelly,

I would be thrilled if you could send me a copy.

Thank you,

Hashem Stietiya
Louisiana State University

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Subject: Ifeffit Digest, Vol 71, Issue 16

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Today's Topics:

   1. Re: distinguishing between actual shells and artifacts
      (Kelly, Shelly)

----------------------------------------------------------------------

Message: 1
Date: Wed, 14 Jan 2009 13:58:21 -0700
From: "Kelly, Shelly" 
Subject: Re: [Ifeffit] distinguishing between actual shells and
	artifacts
To: "XAFS Analysis using Ifeffit" 
Message-ID:

<5A8CCCCD35FC0946BE602D2F43C0218A7DF9FF@AZ18EV808.global.ds.honeywell.com>

Content-Type: text/plain;	charset="iso-8859-1"

Hi Hashem,

I show one method for doing this in my book chapter Figure 14-23 on page
431. (I feel a bit like a broken record).  I will send you a copy if you
want.

Shelly
...
-----Original Message-----
From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-
bounces@millenia.cars.aps.anl.gov] On Behalf Of Voegelin Andreas
Sent: Wednesday, January 14, 2009 9:57 AM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] distinguishing between actual shells and artifacts
Hi Hashem
You can copy-paste the respective EXAFS data in Athena and compare the
backtransforms over the first shell, the first+second shell, the second
shell.
By comparison of the backtransforms with each other and with the measured
EXAFS, you can see where the second-shell contribution has its origin in
k-space (note that the backtransform is not corrected for the window
function).
For instance, if the second-shell signal adds to the spectrum in the low-k
range (where noise should not be a problem), it is likely real and might
result, e.g., from multiple scattering among first-shell O atoms. If the
second-shell signal in the backtransform mainly contributes in the high-k
range (where noise or glitches may be a problem), you may be able to see
whether it falls together with obvious artefacts (such as glitches), or
whether the backtransform matches spectral features that you consider to
be real.
Andreas
-----------------------------------------------
Andreas Voegelin, PhD
Soil Chemistry Group
Inst. of Biogeochemistry and Pollutant Dynamics
Dept. of Environmental Sciences
ETH Zurich
Universit?tstrasse 16, CHN F24
CH-8092 Z?rich, Switzerland
Phone: +41 44 633 61 47
Fax: +41 44 633 11 18
E-Mail: voegelin@env.ethz.ch
www: http://www.ibp.ethz.ch/people/andreavo
...
-----Original Message-----
From: ifeffit-bounces@millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf
Of mstiet2@lsu.edu
Sent: Mittwoch, 14. Januar 2009 14:12
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] distinguishing between actual shells and artifacts
Dear all,
I am currently fitting first and second shells with Zn-O and
Zn-Zn paths,respectively. I get second shell features that
could be fit quite well, but I am not certain if they are
actually second shell features or possibly artifacts. For
some samples I get second shell features that I know should
not be present. What criteria would you use to distinguish
between artifacts and actual shells?
Your assistance is appreciated.
Hashem Stietiya
Louisiana State University
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End of Ifeffit Digest, Vol 71, Issue 16
***************************************

Hashem Stietiya

Kelly, Shelly

Matthew

Kelly, Shelly

K.A. Swat

Luanga Nchari

Dominik Samuelis

Kelly, Shelly

Dean Hesterberg

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