Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 5

Hi Dominik, Thank you so much for your quick response. Indeed, it's really nice fitting according to your result. But my situation seems a little bit different as I'm dealing with the Mn XANES data and there're doublets and sometimes triplets in the pre-edge. Actually, I might as well explain my interest of doing such fitting. I read in the paper *(F Farges, PHYSICAL REVIEW B 71, 155109 (2005))* that the centroid of pre-edge peak is a more accurate measurement of the oxidation state of the element of interest, compared to the more conventional inflection point or half-way method. So I was trying to follow the paper and see if it also works for my samples. Anyway, thanks again for your help! Enyuan On Thu, Aug 9, 2012 at 9:11 AM, wrote:

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Today's Topics:

1. Re: question for ifeffit mailing list - ATHENA NORMALIZATION (Marie Zwetsloot) 2. Re: question for ifeffit mailing list - ATHENA NORMALIZATION (Scott Calvin) 3. pre-edge centroid (Enyuan Hu) 4. Re: pre-edge centroid (Dominik Samuelis)

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Message: 1 Date: Wed, 8 Aug 2012 13:17:59 -0400 From: Marie Zwetsloot To: ifeffit@millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] question for ifeffit mailing list - ATHENA NORMALIZATION Message-ID: Content-Type: text/plain; charset="iso-8859-1"

Hi Scott Calvin,

Thanks for your help. Yes, this is as far as my pre- and post-edge range go. I realized I should have made them longer; it was my first time doing this and wasnt aware that i should lengthen my pre and post-edge for later on analysis. This will be good lesson for the future.

So you would not recommend doing linear combination fitting? I was planning on trying it out.. But I wouldnt want to do it if with my pre- and post-edge range, I am bound to derive wrong conclusions from the data.

Best, Marie