Hi folks, guess what, another question... I would like to estimate the area of a small pre-edge peak in a Nickel spectrum. It is known that the area of this peak, compared to the XANES, is correlated to the degree of symmetry for the Ni(II) ion. I tried to use the peak fitting procedure implemented in Athena, but unsuccessfully. If I limit the fitting region to close to the pre-edge peak, and use either gaussian or lorentzian lineshape, the fitting is bad, really bad (shift of the fitted maximum, wrong linewidth). Maybe the peak is just too small. If I try to fit the entire XANES in addition to this small peak, I get very good fit for the XANES features, but negative intensities for the pre-edge peak. Any clues? Stefano -- ____________________________________________ Stefano Ciurli Professor of Chemistry Department of Agro-Environmental Science and Technology University of Bologna Viale Giuseppe Fanin, 40 I-40127 Bologna Italy Phone: +39-051-209-6204 Fax: +39-051-209-6203 "Fatti non foste a viver come bruti, ma per seguir virtute e canoscenza" Dante Alighieri - Inferno - Canto XXVI