[Ifeffit] R-factor

Alison Costello acostell at unm.edu
Tue Jul 5 18:39:06 CDT 2005

I have a question regarding the calculation of the R-factor.  I am currently
using SIXPACK to process my protein EXAFS data, and I fit the data in both
k-space and in q-space (back-transformed k-space).  I typically will use
k-ranges = [1-13.6] and for multiple-scattering fits, will use an R-range of
0.1 - 4.5.  Sometimes, the R-factor for the q-space fit is greater than the
R-factor for the k-space fit, which should not be true, as the
back-transformed space filters out noise.  I am confused as to why this
occurs, and am wondering if the R-factor for the back-transformed space is
calculated differently than for k-space fits.

Thank you.
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