[Ifeffit] DAFS calculation

[Matt Newville]

Hi Eun-Suk,

Sorry for the trouble, the docs are now fixed.   FWIW, various versions of
the diffkk code (Pascal, Fortran, Python) have been around for many years,
originally written by Julie Cross.

We could probably translate her iterative KK code too, but it's use is a
bit fragile.  Still, if you have real DAFS measurements and want to extract
a pure  f' or f'' signal, this method is probably the best approach.  It
might be that someone has done this already....

--Matt



On Wed, Jan 20, 2016 at 11:34 PM, JeongEunSuk <eunsuk1986 at hotmail.com>
wrote:

> Dear Bravel
>
> Thank you for your kind e-mail.
>
> I am looking at Larch and following Larch Totorial. When I clicked 8.8
> XAFS: diffkk section, the website was not found.
>
> how can I contact that wensite section?
>
>
>
> > To: ifeffit at millenia.cars.aps.anl.gov
> > From: bravel at bnl.gov
> > Date: Sat, 16 Jan 2016 14:49:09 -0500
> > Subject: Re: [Ifeffit] DAFS calculation
>
> >
> >
> > No version of Atoms has ever done anything more than simple simulations
> > intended to help plan a DAFS measurement.
> >
> > To my knowledge, there is no general purpose software for DAFS that is
> > widely available. I certainly haven't written any. That said, Larch
> > has a lot of the tools you'd need to make headway, including
> > cross-sections (http://xraypy.github.io/xraylarch/xray/index.html) and
> a
> > Kramers-Kronig transformation
> > (https://github.com/xraypy/xraylarch/blob/master/plugins/xafs/diffkk.py
> > -- written by me, possibly correctly).
> >
> > Since DAFS is so little used, it remains a sort of entrepreneurial
> > endeavor. If you are willing to make the measurement, I think you have
> > to also be willing to deal with the data on your own.
> >
> > B
> >
> > On 01/14/2016 08:00 PM, JeongEunSuk wrote:
> > > Hello
> > >
> > > I've heard that Atoms 3.0 code is available to calculate DAFS.
> > > I would like to calculate it. Do you have any example for it?
> > > I don't know how to use keywords in Atoms 3.0 such as dafs, emin, emax
> > > and others.
> > >
> > > Best regards
> > >
> > > Eun-Suk Jeong
> > >
> > >
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> >
> >
> > --
> > Bruce Ravel ------------------------------------ bravel at bnl.gov
> >
> > National Institute of Standards and Technology
> > Synchrotron Science Group at NSLS-II
> > Building 535A
> > Upton NY, 11973
> >
> > Homepage: http://bruceravel.github.io/home/
> > Software: https://github.com/bruceravel
> > Demeter: http://bruceravel.github.io/demeter/
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-252-0431
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