[Ifeffit] Athena (linear combination fitting)

[Dilnesa, Belay]

Dear Dr. Ravel,
Thanks so much,for information you gave me. I subscribed already in the mailing list. I have a complex system to fit. I have a complex spectra from a hetrogenous sample and a number of reference samples. I am doing EXAFS LCF. To choose from the combinations after fitting is diffcult because the R factor of the first 5 combinations with diffrent reference combinations is similar. And as I see from my fitting the alignement plays really an important role  on the LCF. You know when I made allign marked groups based on the standard, it alligns well the enregy but when I see the k-plot, it shifts. And my fitting space is on chi(k) which is sensitive when I allign. It is complex system. The procedures I am trying are, Normalization-allignement-LCF (this procedure alligns the energy well but the chi shifts and this affects my fitting because I am fitting on chi space. The other procedure i checked, Normalization-calibration-LCF (this alligns the energy good but for some spectra it shifts again). When I allign it manually by excel sheet, it works good. Can I use the following procedure...normalization, calibration-allignemet-LCF? I just found a well alligned spectra in E and K plot from this procedure.   I will be happy if you comment on those procedure. Thanks so much for the keen help!

With best regards,

Belay