June 2022 - Ifeffit - millenia.cars.aps.anl.gov

Literature question---FEFF-based wavelet
by Xinyu Luo 29 Jun '22

29 Jun '22

Hi everyone, I'm a graduate student interested in using wt-EXAFS to analyze LDH compounds. I've surfed the ESRF website, tried Continuous Cauchy and Morlet as mother wavelets, and am aware of their limitations. I'm inspired by previous work by Funke et al. [J. Synchrotron Radiat. 2007, 14 (5), 426–432.], that customizing the mother wavelet can strengthen the sensitivity to the path of interest. I have some questions as follows. 1)Can the FEFF-Morlet wavelet be manipulated through parameters like the Morlet or Cauchy wavelet to reach the desired Heisenberg box? 2)How to practically execute the as-mentioned four steps to construct the FEFF-Morlet wavelet? Could you suggest some software toolkit to start, perhaps Matlab? 3)I'm also curious about the 2D contour generated by FEFF-Morlet which didn't show up in the paper. Will the overview wt figure gain better general resolution simply by choosing an appropriate mother wavelet? Regards Xinyu

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data plotting
by Ofierska Weronika Lucja 28 Jun '22

28 Jun '22

Dear all, I am a new user of Athena and encountered some issues with data plotting. While plotting the uXAS data for Fe K pre-edge the quality of plotting is somehow less sharp compared to the actual data I plotted using other graphical tool (see below) [cid:4465cab9-2ae8-49e7-8253-e54ac3d22bb7] vs what I get from Athena [cid:4db817c1-78d0-4ac8-b094-12d37d055466] As you can see the resolution of the pre-edge in Athena is so poor I cannot resolve the Fe2+/Fe3+ ratio as the peak for Fe3+ is not visible. (I plotted Bruce's data from lepidocrocite to see if it's a common problem and it seems that his data look much better than mine). During my time on synchrotron we actually spent a lot of time to resolve best resolution on the pre edge, so it's not a acquisition problem. Does anyone have any idea how to fix this? I am attaching the project file and txt file (plot FluoRT2 column) with the original data. Thank you for your help, Weronika Ofierska

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new opening for high resolution X-ray spectroscopic studies of spent nuclear fuel
by Vitova, Tonya (INE) 15 Jun '22

15 Jun '22

Dear all, Please see this new job opportunity: https://www.pse.kit.edu/english/karriere/joboffer.php?id=155626 I hope that many of you will apply! Best regards, Tonya -----Ursprüngliche Nachricht----- Von: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> Im Auftrag von ifeffit-request(a)millenia.cars.aps.anl.gov Gesendet: Dienstag, 31. Mai 2022 19:00 An: ifeffit(a)millenia.cars.aps.anl.gov Betreff: Ifeffit Digest, Vol 231, Issue 22 Send Ifeffit mailing list submissions to ifeffit(a)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(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)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. Re: Larch 0.9.61 and 60 (Matt Newville) ---------------------------------------------------------------------- Message: 1 Date: Tue, 31 May 2022 07:10:28 -0500 From: Matt Newville <newville(a)cars.uchicago.edu> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Re: [Ifeffit] Larch 0.9.61 and 60 Message-ID: <CA+7ESbpx-dFvXkNkL0EFXPPxsi8d3oO4vO3T3xTWeVKYNKXNzA(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Hi Kathy, Thanks and sorry for the trouble. I think I can reproduce this: changing the definitions of Path Parameters is being ignored. I have a theory of what is going wrong, but I'll have to investigate this a bit... On Tue, May 31, 2022 at 6:12 AM Kathy Dardenne <kathy.dardenne(a)kit.edu> wrote: > Hello, > > > > I was trying to use Larch 0.9.59 to fit EXAFS Data. There was no > possibility to save work in progress but it was possible to do fit, > change name of the variable used and define the expression for > amplitude (default defined as ?n*s02? in Larch where n is taken from the feff calculation). > > I have 6 slightly different Cf-O distances in my model structure and > took only one path, changing the amplitude definition ?1.0 * s02? by ?NO * s02? > . this worked perfectly. > > > > However in Larch 60 and 61 where, thanks a lot!!!, we can now save our > work, it is not possible any more to change anything in the path > parameter (neither name or expression). The added variable is not any > more varied and not taken into account. Independently of the amplitude > definition s02 get the same value as default definition and new > variables stay by start value having no influence on the fit. > > > > I join some screenshot as well ?Path parameters? and ?Fit script?. > Looking at the Path parameter I saw that the amplitude is still by > default definition so no wonder that it acts without taking into account changes. > This is the same for name changes. > > > > Am I the only one having trouble now? I worked till now with artemis, > ifeffit and previously feffit soI do not have a big experience with Larch. > The old feffit based versions stop all by Pu (Z=94) and I need Z=98 so > I changed to Larch but need to get used to. > > I am using Larch in anaconda3 on a Win10 Computer. > > > > Thanks a lot for your help. > > > > Kind regards > > > > Kathy > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)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

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