[Ifeffit] Multiple data set fit limit
vstreltsov at unimelb.edu.au
Thu Mar 9 04:15:13 CST 2017
Artemis gives me message “ -- falling back to Ifeffit”.
I assume it runs Ifeffit which does exactly what Bruce described:
3 data set refined to completion with sensible refined parameter, however,
R-factor for 3rd data set is 1.0000 (overall R for 3 data set is huge too) and after-fit plot for 3rd data set is missing, only experimental one shown. I am using latest versions of programs.
From: Ifeffit [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Matt Newville
Sent: Thursday, 9 March 2017 12:56 PM
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Multiple data set fit limit
On Wed, Mar 8, 2017 at 1:58 PM, Bruce Ravel <bravel at bnl.gov<mailto:bravel at bnl.gov>> wrote:
On 03/08/2017 10:53 AM, Bruce Ravel wrote:
Well ..... a multiple data set fit using larch runs to completion and
reports sensible values for parameters, but does not manage the data
sets correctly. One obvious sign that something has gone wrong is the
after-fit plot attached. Yikes!
This turned out to be a few Larch syntax problems. I just checked a fix into github.
As far as I know, the head of github has an Artemis that works for single and multiple data set fits with Larch or Ifeffit.
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