[Ifeffit] Fitting procedure

Kelly, Shelly Shelly.Kelly at uop.com
Fri Apr 17 09:50:25 CDT 2009

Okay. Sure, I agree with Matt. But I don't think that this data can be
broken into different shells....otherwise I do not believe that the
model would fail when the entire data range is optimized together.

There could be two reasons that the model fails. Either there are
correlations that were artificially broken by fitting the r-ranges
separately or there is some data that is not accounted for in the model.

I guess I should only talk for myself. "I do not generally accept your
fitting method to be the best".  I did say BEST...sometimes best is not
an option.


> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov [mailto:ifeffit-
> bounces at millenia.cars.aps.anl.gov] On Behalf Of Matt Newville
> Sent: Friday, April 17, 2009 9:23 AM
> To: XAFS Analysis using Ifeffit
> Subject: Re: [Ifeffit] Fitting procedure
> Shelly wrote:
> > ....and what we are trying to say is that your method is not
> > accepted as the best way to model data.
> We are?
> If I understand Abhijeet's approach (first fit the first shell, then
> fix those parameters, change the R-range to the second shell and fit
> that),  it is exactly what I would recommend.
> --Matt
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