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

Path output with feff8l
by 西村真一 04 Apr '22

04 Apr '22

Dear all, I have used Larch ver 0.9.59/0.9.58 on Linux for XAFS data processing and analysis. The scripting features are pretty helpful in our study. In the EXAFS analysis, I met a strange behavior of a function. The feff8l function does not generate the "feffNNNN.dat" files like Feff6l. This behavior is different from that in the web document (13.7.1.2). What is the best way to import the paths from the output of feff8l? Or is there any way to generate the "feffNNNN.dat" files with feff8l? I will appreciate your help. Best wishes, Shinichi ——————————————————— Shin-ichi NISHIMURA, Ph.D nishimura(a)chemsys.t.u-tokyo.ac.jp Atsuo YAMADA Group, Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo Yamada Lab., Engineering Bldg.#3-5C08, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan

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Larch 0.9.59
by Matt Newville 04 Apr '22

04 Apr '22

Hi Folks, Larch version 0.9.59 has been released. It should now be installed by default using all installation mechanisms, and you may see a notice to update if running xas_viewer. This is mostly bug fixes, but some are important enough to warrant pushing out now. Changes are detailed at https://github.com/xraypy/xraylarch/releases/tag/0.9.59 For XAS Viewer use, the most important of these are a) "energy reference" and "energy shifting" of spectra work much better. b) the action of the "pin icon to select points on the graph" has now changed (by popular opinion) to be: click on pin icon, *and then* cliick on point of the graph. There are also new binary installers - the one for Linux might work for more people ;), and the installation might be faster for more people. We're hoping that there will be another release in a couple of months to give a more comprehensive "Project File" concept. But, as always, suggestions or comments are welcome. Cheers, --Matt

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XAFS 2022: important deadlines
by Matt Newville 01 Apr '22

01 Apr '22

Hi Folks, ... and some reminders: Abstracts for XAFS 2022 are due April 19. Please submit a presentation for your work! https://xafs2022.org Nominations for the International X-ray Absorption Society Awards are due May 1. See https://xrayabsorption.org/ixas-awards-2022/ for details. --Matt

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Question related to save fitting results in Larch
by Andy Zhang 25 Mar '22

25 Mar '22

Dear Sir/Madam, I have a question related to saving fitting results in Larch. I wonder if it is possible to save the project file with fitting results, just like the .fpj file in Artemis. In this way, I could save the partially finished work and do it later. Thanks a lot! Best, Harry

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Open postdoc position in the APS Spectroscopy Group
by Sterbinsky, George E. 24 Mar '22

24 Mar '22

Hello all, The Advanced Photon Source Spectroscopy Group currently has an opening for a Postdoctoral Research Associate in the area of x-ray absorption spectroscopy. Interested candidates can view the full position description and apply at https://argonne.wd1.myworkdayjobs.com/Argonne_Careers/job/Argonne-National-…. Best, George George E. Sterbinsky, PhD X-ray Science Division Advanced Photon Source Argonne National Laboratory sterbinsky(a)anl.gov

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Conduction band energy and deltae0
by Melike Babucci 13 Mar '22

13 Mar '22

Dear all, For a reliable comparison of two EXAFS data sets (lets say before and after Cu-doping), which parameters should be kept consant in the first model? I understand that sigma^2 values should be the same in two fittings, and I would see a change in coordination numbers and deltaE0 and deltar after Cu doping. Is that a good approach? Does the new deltaE0 indicate a change in the conduction band energy? Thanks in advance. Best regards, Melike N?r du har kontakt med oss p? Uppsala universitet med e-post s? inneb?r det att vi behandlar dina personuppgifter. F?r att l?sa mer om hur vi g?r det kan du l?sa h?r: http://www.uu.se/om-uu/dataskydd-personuppgifter/ E-mailing Uppsala University means that we will process your personal data. For more information on how this is performed, please read here: http://www.uu.se/en/about-uu/data-protection-policy

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Open postdoc position at DESY XAFS beamline
by Edmund Welter 10 Mar '22

10 Mar '22

Dear colleagues, in case you are interested in a post doc position as beamline scientist at a XAFS beamline at DESY in Hamburg (a place with notoriously good weather!) please have a look at the following job offer: https://v22.desy.de/e67416/records155637/index_eng.html If you know of a colleague who might be interested please forward this mail to her/him. For any questions concerning the advertised position please do not hesitate to contact me via e-mail but please take care that you do not send your reply to the mail list. The job offer is open till we hired a suited candidate. Best regards, Edmund Welter

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[ifeffit] Intensity difference in XANES
by Chen, Danting 07 Mar '22

07 Mar '22

Dear All, I have been studied Zn XANES and EXAFS for my environmental samples. Due to the unknow Zn speciation in my samples, called ‘A’, I do not have adequate Zn reference materials. I found some Zn reference materials from others work, called ‘B’, and extracted the data from their paper. I found quite similar features, e.g., the location of each peak and bottom. However, the intensity of these peaks or bottoms does not correspond very well. I am guessing that the features of XANES is mainly decided by the bond lengths, ligands and oxidation states of the core atom. The intensity of these features may be influenced by the multiple scattering from the neighbouring atoms beyond the first coordination. Can I conclude that the Zn speciation in my sample ‘A’ has a similar first coordination as other work ‘B’, but the coordination environment beyond the first coordination may be different. I compare their Fourier Transform ‘B’ with my samples ‘A’, and found each peak location correspond well but the intensity is different. I am guessing that their surrounding atoms are heavier than my samples. I am unsure if my explanation. Would you mind providing some suggestions regarding the factors influencing the intensity and also the references for this explanation? I will appreciate your help and many thanks. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows

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fully funded PhD position at ESRF
by Marius Retegan 24 Feb '22

24 Feb '22

Dear IFEFFIT members, We are looking for a PhD student to develop and apply machine learning techniques to analyse X-ray spectroscopy data. The PhD is funded by the Marie Skłodowska-Curie COFUND project ENGAGE. Additional details about the offer can be found at https://esrf.gestmax.eu/1575/1/phd-student-engage-05/en_US <https://esrf.gestmax.eu/1575/1/phd-student-engage-05/en_US>. Applications should be made via the ENGAGE website (https://engage.cyi.ac.cy/?page_id=36 <https://engage.cyi.ac.cy/?page_id=36>), and the application deadline is 15 March 2022. The applicants must not have resided or carried out their main activity (work, studies, etc.) in France for more than 12 months in the three years immediately before the call deadline. Please feel free to forward this offer to any potentially interested candidates. Thank you in advance! Best regards, Marius -- Dr. Marius Retegan European Synchrotron Radiation Facility (ESRF) 71 Avenue des Martyrs 38000 Grenoble phone: +33 4 38 88 19 29 email: marius.retegan(a)esrf.fr

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Larch install error on MacOS 12.2
by Mangold, Stefan (IPS) 11 Feb '22

11 Feb '22

Dear all, I upgraded a machine to 12.2 (MacPro), Larch was installed via binary installer. Afterwards Larch didn’t launch. I did a re-install with the binary installer and this didn’t work, because already installed. deleted it, but this also didn’t work tried pip install xraylarch stopped with ERROR: Failed building wheel for fabio Failed to build fabio also no director with XAS viewer created. best regards Stefan Mangold

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