Re: [Ifeffit] Ifeffit Digest, Vol 203, Issue 5

Dear all I agree with Mike and Scott too. I might suggest Schalken, M. J. and Chantler, C. T. "Preservation of uncertainty in experiment: structures of Ni (II) coordination complexes" (2018) J. Synchrotron Rad., 25, 920-934 as a partial discussion around this topic if people are interested. It could be read as 'don't smooth data if you can avoid it'. Very best wishes to all Chris -------------------------------------------------------------------------------------- Christopher Chantler, Professor, FAIP, Fellow American Physical Society Editor-in-Chief, Radiation Physics and Chemistry Chair, International IUCr Commission on XAFS; CIT, CCN IPP, International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler@unimelb.edu.auhttps://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.&URL=mailto%3achantler%40unimelb.edu.au chantler@me.comhttps://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.&URL=mailto%3achantler%40me.com http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.htmlhttps://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.&URL=http%3a%2f%2foptics.ph.unimelb.edu.au%2f%7echantler%2fxrayopt%2fxrayopt.html http://optics.ph.unimelb.edu.au/~chantler/home.htmlhttps://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.&URL=http%3a%2f%2foptics.ph.unimelb.edu.au%2f%7echantler%2fhome.html ________________________________ From: Ifeffit on behalf of ifeffit-request@millenia.cars.aps.anl.gov Sent: Thursday, 23 January 2020 4:05 PM To: ifeffit@millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 203, Issue 5 Send Ifeffit mailing list submissions to ifeffit@millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request@millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner@millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. smoothing XAS data (Daria Boglaienko) 2. Re: smoothing XAS data (Carlo Segre) 3. Re: smoothing XAS data (Scott Calvin) 4. Re: smoothing XAS data (Mike Massey) 5. Re: smoothing XAS data (Will Bennett) ---------------------------------------------------------------------- Message: 1 Date: Wed, 22 Jan 2020 17:38:43 -0800 From: Daria Boglaienko To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] smoothing XAS data Message-ID: Content-Type: text/plain; charset="utf-8" Hello, In what case smoothing of the data is OK? My data have a lot of noise and smoothing really helps (visually). I compared fit done in Artemis for smoothed and non-smoothed data sets and the result is very similar, however when I searched about it online, it looks like it is not recommended. What is a good way to justify it? Thank you! -Daria