[Ifeffit] Global parameters mapping with EXAFS

Matt Newville newville at cars.uchicago.edu
Tue Aug 19 14:21:25 CDT 2003

Hi Wojciech, 

I'm afraid I haven't read that paper (just downloaded it) so I'm not
sure what the 'global parameter mapping' they used is.  It sounds as
if it might be similar to what Norbert Weiher is trying to do for
'global parameter mapping', using ifeffit as the underlying engine.
There was some discussion on this list in July with subject lines
like 'Scanning potential surfaces'.  Is this close to what you have
in mind?

I've never used AUTOFIT. It might be available from Mark Chance
(still at Albert Einstein College of Medicine, and involved in
running X9B at NSLS, as far as I know), but I don't know for sure.

Hope that helps,


On Tue, 19 Aug 2003, Wojciech Gawelda wrote:

> Hi,
> Recently I have come across some publications (Chance, et al.,
> Biochemistry, 1996, 35, 9014-9023) where people have used global
> parameter mapping techniques with EXAFS in order to refine the obtained
> metal-ligand bond distances. If I’m right the code they developed was
> called AUTOFIT 1.0. Does anyone of you know whether this code is freely
> available on the web? Or if not, does anyone of you know about similar
> codes which are being used in EXAFS analysis.
> Please let me know about this issue and help me to find out more about
> this approach.
> Have a nice day!
> Wojciech Gawelda
> *********************************************************************
> Wojciech Gawelda
> Institut de Physique de la Matière Condensée
> Université de Lausanne
> CH-1015 Lausanne-Dorigny, SWITZERLAND
> Tel.: +41 (21) 692 3669
> Fax.: +41 (21) 692 3635
> E-mail: Wojciech.Gawelda at ipmc.unil.ch
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