5 Jul
2005
5 Jul
'05
11:39 p.m.
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. alison