Re: [Ifeffit] E0 on linear combination fitting: fit or not?

2017-05-12 Thread Matthew Marcus
My experience on ALS 10.3.2 is that shifts of up to about 0.5eV are plausible and often improve the fit substantially. I assume you're talking XANES, not EXAFS. 6eV is right out and suggests either a misidentification of the species (false fit) or inconsistency of energy cal. One of my pet

Re: [Ifeffit] E0 on linear combination fitting: fit or not?

2017-05-12 Thread Anatoly Frenkel
I think (in agreement with Matt's comment) that if the standards are not known to be calibrated to the same energy scale then LCA may not be as useful if done in energy space. But, depending on the problem of course, there could be a good spectral contrast between the data not only in energy but

Re: [Ifeffit] E0 on linear combination fitting: fit or not?

2017-05-12 Thread Matt Newville
Hi Pamela, On Thu, May 11, 2017 at 12:19 PM, Carrillo Sanchez, Pamela < pcarri...@bnl.gov> wrote: > > > > > Hi all, > > > > I have gone through the mail archives as well as following the > instructions of Athena user’s manual as well as Scott Calvin’s book but > still I find myself with the