Hi Bruce, I calculated the R_factor by hand (well, by Excel, really) for the real component of the Fourier transformed spectrum. The analysis was actually carried out using Artemis, and I calculated the R_factor over the fitting range in R. For the real component, this was exactly equal to the R_factor returned from Artemis. I don't necessarily think that anything is wrong. I was just curious about this. Sincerely, Wayne On May 1, 2004, at 7:48 AM, Bruce Ravel wrote:
On Friday 30 April 2004 06:33 pm, Wayne Lukens wrote:
First, thank you for the great software! I am a former EXAFSPAK user and have been really impressed by Artemis/ifeffit. It's easier to use, more flexible, and gives more reasonable errors for the fit parameters.
Well, welcome to the "family" and thanks for the kind words!
My question is about the value of the R_factor for R-space fitting. This seems to be the R_factor for the real component of the Fourier transform only although the fitting is performed on both the real and imaginary components. Is there a reason that the contribution of the imaginary component to the R_factor is not included?
A quick perusal of Matt's source code does not suggest that what you say is true. Could you be more specific as to why you think that the R-factor is computed incorrectly?
B
-- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642
NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973
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