Re: [Ifeffit] Plotting chi(R) from FEFF in XAS Viewer (Larch) with

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.mosselmans@diamond.ac.uk 07419362123 Message: 1 Date: Tue, 13 Dec 2022 16:53:03 -0600 From: Matt Newville To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Plotting chi(R) from FEFF in XAS Viewer (Larch) with phase correction Message-ID: 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 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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

-- --Matt Newville <newville at cars.uchicago.edu> 630-327-7411