Dear Matt and Carlo and Liam,
I agree with Matt and Carlo that phase corrected plots are not a great idea, I
think they lead people to forget that they are not looking at a radial
distribution function and encourages people to think they can read distances
off a plot of the amplitude of the FT of overlapping sine waves reliably.
Thanks
Fred
J F W Mosselmans
Principal Beamline Scientist I20
Diamond Light Source
Harwell Campus
Didcot
OX11 0DE
01235 778568
fred.mosselm...@diamond.ac.uk
07419362123
Message: 1
Date: Tue, 13 Dec 2022 16:53:03 -0600
From: Matt Newville <newvi...@cars.uchicago.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Plotting chi(R) from FEFF in XAS Viewer (Larch)
with phase correction
Message-ID:
<ca+7esbr+dct8hfwntm2t+tonyhqw4iqwfbbbjoecn4ese+i...@mail.gmail.com>
Content-Type: text/plain; charset="utf-8"
Hi Liam,
Yes, this is not currently available. It would not be hard to enable, but I
am not sure it is a great thing to do. I admit that I sort of find that
phase-correction plots need a lot of explanation, and so are prone to causing
confusion. They might be useful for Pt metal, but they cannot really be
correct for multi-atomic systems. Well, I guess "correct" is not the only
consideration ;).
I guess I would ask if there are suggestions and input from people teaching
XAFS on whether phase corrections (and probably a handful of other "tricks"
or analysis variations) are actually useful or just confusing.
On Tue, Dec 13, 2022 at 7:58 AM Liam Nagle-Cocco <la...@cam.ac.uk> wrote:
> Dear all,
>
> In Artemis it is possible to plot chi(R) for FEFF-fit, with the phase
> corrected - i.e. bond length corrected for deltaR. This is shown in
> this screenshot below ("Use this path for phase corrected plotting").
> Is this possible in XAS Viewer?
>
>
> Liam Nagle-Cocco *(he/his)*
>
> PhD Student in Condensed Matter Physics | Cavendish Laboratory
>
> Welfare Officer 2022-2023 | Jesus College MCR
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--
--Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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