[Ifeffit] Question about the R_factor in artemis/ifeffit
Wayne Lukens
wwlukens at lbl.gov
Mon May 3 10:29:37 CDT 2004
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 at phys.washington.edu
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> Naval Research Laboratory phone: (1) 202 767
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>
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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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