[Ifeffit] Question about the R_factor in artemis/ifeffit

Bruce Ravel ravel at phys.washington.edu
Sat May 1 09:48:39 CDT 2004


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 at phys.washington.edu
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 My homepage:    http://feff.phys.washington.edu/~ravel 
 EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/




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