Re: [Ifeffit] book chapter

Wow! That is one of the best requests. Here you go. Cheers, Shelly

-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit- bounces@millenia.cars.aps.anl.gov] On Behalf Of Hashem Stietiya Sent: Thursday, January 15, 2009 12:25 PM To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] book chapter

Dr. Kelly,

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

Thank you,

Hashem Stietiya Louisiana State University

-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request@millenia.cars.aps.anl.gov Sent: Thursday, January 15, 2009 12:00 PM To: ifeffit@millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 71, Issue 16

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Today's Topics:

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

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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.co m>

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

431. (I feel a bit like a broken record). I will send you a copy if you want.

Shelly

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-----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

...

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

page the 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

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-----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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