Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 5 - Mn XANES

2012-08-09 Thread Andrew Korinda
Manceau also describes his arc-tangent function in his earlier work (Mn is also my focus): Manceau, A.; Gorshkov, A. I.; Drits, V. A., Am. Mineral. 1992, 77 (11), 1133-1143. I've found Farges to be a little vague on how he extracts the pre-edge features for fitting. Andy K. On Thu, Aug 9, 2012

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

2012-08-09 Thread MarĂ­a Elena Montero Cabrera
Hello all, I have done pre-edge fitting of Ti in multiferroic ceramics with Athena. I have selected error function for the "background" and alternatively Lorenztian or Gaussian function for *several* peaks, and Athena has worked quite well. The point is to do it with some systematic procedure, and

Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 5 - Mn XANES

2012-08-09 Thread Matthew Marcus
You might also consider the method given in: Manceau, A., Marcus, M. A., Grangeon, S. (2012) "Determination of Mn valence states in mixed-valent magnanates by XANES spectroscopy", American Mineralogist 97,816-827 (not that I'm plugging my own work or anything :-) ) Marcus, M. A. On 8/9/

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

2012-08-09 Thread Enyuan Hu
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 i