Re: [Ifeffit] Aligning Energy scales

2010-09-28 Thread Matt Newville
Dear Elsa, It sounds like you want to adjust the data chi(k) so that deltaE0 is 0 in a fit. Is that correct, or are you trying to do something else (say, align the XANES)?If that assumption is correct, you want to change the E0 used to extract chi(k) from the experimental spectra -- the E0

[Ifeffit] Aligning Energy scales

2010-09-27 Thread Elsa E. Sileo
I need to align a measured spectra to a theoretically calculated spectra. I fitted the first shell obtaining values for deltaE0, sigma^2; delta R and amplitude. Then, using the obtained values, and making deltaE0=0, I got the theoretical signal. But I do not know how to use this last