On Fri, Apr 17, 2009 at 8:08 AM, Cammelli Sebastiano <[email protected]> wrote: > > In the case of a linear combination fitting on the k space performed by > ATHENA, the <∆chi> needs a correction. Is it correct to write: > > R_factor ≡ < ∆chi(k space))> = √[ ∑ (chi_C(ki) – chi_E(ki))2 / ∑( > chi_E(ki))2] ? > > Where Chi_C(ki) = x1*chi1(k)+x2*chi2(k) : chi1 and chi2 are the EXAFS > functions of the two reference samples used for the linear combination > procedure and x1, x2 (with 0<x1,x2<1 and x1+x2=1) are their weight; Chi_E(k) > is the EXAFS experimental function of the investigated sample. >
Yes, I that is correct. For fits in k-space, the chi data is often k-weighted, in which case all the 'chi' functions in these formulae should be the k-weighted chi(k). --Matt _______________________________________________ Ifeffit mailing list [email protected] http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
