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

how to import this kind of XAFS data
by woschangqiang＠126.com 11 Dec '17

11 Dec '17

Dear Bruce Ravel, Matt Newville and Carlo Segre, I am sorry to reply late. Thanks very much for your time and detailed explanations. Qiang CHANG Unversity of Chinese Academy of Sciences

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Re: [Ifeffit] Ifeffit Digest, Vol 178, Issue 9
by Christopher Thomas Chantler 10 Dec '17

10 Dec '17

Dear all The two best tests of any self-absorption correction are 1. that the resulting curve looks like an absorption curve, and the slope is consistent with one above the edge and 2. the pixels in a two-dimensional detector are consistent with such a pixel-dependent correction without excessive fitting parameters. That is, the pixel geometry is corrected for. It is not trivial to do this with a single channel, pixel or spectrum. Chris -------------------------------------------------------------------------------------- Christopher Chantler, Professor, FAIP, Fellow American Physical Society Editor-in-Chief, Radiation Physics and Chemistry Chair, International IUCr Commission on XAFS CIT, CCN President, International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler(a)unimelb.edu.au<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> chantler(a)me.com<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/home.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> ________________________________ From: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> on behalf of ifeffit-request(a)millenia.cars.aps.anl.gov <ifeffit-request(a)millenia.cars.aps.anl.gov> Sent: Monday, 11 December 2017 5:00:01 AM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 178, Issue 9 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. Units for density in Athena's Booth self-absorption correction? (John Christopher Lin) 2. Re: Units for density in Athena's Booth self-absorption correction? (Matt Newville) ---------------------------------------------------------------------- Message: 1 Date: Sun, 10 Dec 2017 02:30:05 +0000 From: John Christopher Lin <jlin9(a)stanford.edu> To: "ifeffit(a)millenia.cars.aps.anl.gov" <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] Units for density in Athena's Booth self-absorption correction? Message-ID: <MWHPR02MB3358E7D14D4E058A9F44C79F8F360(a)MWHPR02MB3358.namprd02.prod.outlook.com> Content-Type: text/plain; charset="iso-8859-1" Dear XAFS community, I am trying to use the Booth algorithm to correct for self-absorption in Athena, and one of the input fields is for the density of the material. What units should be used for the density in that field? (I could not find the answer in Section 9.9 of the Athena documentation on self-absorption approximations.) Many thanks, John

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how to import this kind of XAFS data
by woschangqiang＠126.com 08 Dec '17

08 Dec '17

Hello, dear everyone. I downloaded a XAFS data about mettalic Ru from the website of ixs.iit.edu. There are 4 groups of information in the data, and each ranges between ~67800 with ~63000 in energy. So how to import the data to Athena, and how this kind of data was produced? Does anyone come across this situation? Thanks for your time and help in advance. Q. CHANG Unversity of Chinese of Academy of Sciences

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Hello
by Neama Imam 08 Dec '17

08 Dec '17

Dear Sir I am new user of Demeter, i would like to find he exact steps of Athena and Artemis. Best Regards Neama Imam : Post Doc. Position - XAFS beamline - Elettra-Sincrotrone Trieste S.C.p.A. Strada Statale 14, Km 163.5 Basovizza (Trieste), 34149 Trieste-Italia ( neama.imam(a)elettra.eu) and Lecturer : Atomic Energy Authority Nuclear Research Center Exp. Nuclear Phys. Dept. Solid State and Nanotechnology Lab. Cairo, Abou-Zabaal, Inshas , Egypt P.O. : 13759 Fax: 00-202-44520612 imam.eaea(a)gmail.com, nama_emam2018(a)yahoo.com

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Re: [Ifeffit] Demeter 0.9.26 launch faillure
by Kirill Lomachenko 06 Dec '17

06 Dec '17

Dear Kathy and Robert, great, it works! Thanks a lot Kirill

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Demeter 0.9.26 launch faillure
by Kirill Lomachenko 06 Dec '17

06 Dec '17

Dear Bruce, I have trouble running the Demeter 0.9.26_pre2 (64bit). When I start Artemis after installation of Demeter, it closes after showing nothing but the usual temple picture. Logfile is attached. The problem is analogous on both Win7 SP1 and Win8.1 and repeats also for Athena and Hephaestus. Could you please tell whether there is something I can do to fix it? Versions 0.9.25 and 0.9.24 start without problems. I know that 0.9.26 is a preview version, but I was installing it only to get the possibility to actually use the user-supplied value of epsilon_k for fitting multiple dataset. If it is difficult to make the version 0.9.26 available soon, maybe in 0.9.25 there is a possibility to set R-factor as a figure of merit for fitting rather than chi^2? That might also help. Thank you All the best, Kirill Lomachenko -- Dr. Kirill A. Lomachenko Scientist at BM23/ID24 beamlines European Synchrotron Radiation Facility (ESRF) 71 avenue des Martyrs CS 40220 38043 Grenoble Cedex 9, France Tel: +33 438 88 19 14 www.esrf.eu

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Vanadium pre-edge peak fitting
by Will Bennett 05 Dec '17

05 Dec '17

Hi everyone, I've recently collected some V K-edge XANES spectra and am in the process of analysing the data. The pre-edge region has been shown to be quite useful for exploring the oxidation state and coordination geometry of vanadium in various samples. This approach requires the pre-edge peak area and centroid of unknowns to be compared with those of a suite of standards, with these parameters typically determined by fitting a peak (or peaks) to the pre-edge feature. The attached paper by Chaurand et al shows an example of how this is often done, but it raised a question in my mind that I wanted to clarify before proceeding to analyse my data in this way... Is it necessary to justify a particular selection of peak fitting parameters based on physical attributes? For example, Chaurand et al fits multiple pseudo-voigt peaks to the V pre-edge feature, with the Lorentzian contribution to this pseudo-voigt function constrained to be the same as the core-hole lifetime width at the V K-edge (i.e. 0.8 eV). The Gaussian contribution is allowed to vary, but the Lorentzian to Gaussian intensity ratio is set at 1:1. After justifying these parameters, the authors go on to say that *"It should be noted that width and height of the modeled pseudo-Voigt functions have little physical significance, being a convolution of two functions with significantly different width."* If this is the case, does it really matter what specific peak fitting parameters are used? If the goal is to simply obtain an accurate peak area and centroid of the pre-edge feature, wouldn't an empirical peak fitting approach provide comparable data? I'm not against fitting a series of pseudo-voigt functions constrained in a similar way, to my data, but I'd like to have a good justification for doing so. I'm quite new to the world of peak fitting in the context of XAS data analysis, so I'm looking forward to hearing the views of the mailing list. Thanks in advance. Will

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Tenure track position in condensed matter physics
by Robert Meulenberg 01 Dec '17

01 Dec '17

Hello all, I hope I'm not overstepping any bounds here, but I know that this mailing list is populated with both experimentalists and theorists, so I figured the email could be of interest. The University of Maine is looking to hire a theoretical/computational condensed matter physicist for a tenure track Assistant Professor position. I have attached the ad and the link to the position can be found here: https://umaine.hiretouch.com/job-details?jobID=44990&job=assistant-professo… Please feel free to circulate as you see fit. Regards, Rob Meulenberg Robert W. Meulenberg Associate Professor of Physics Laboratory for Surface Science and Technology Department of Physics and Astronomy University of Maine Orono, ME 04469 phone: 207-581-2245 email: robert.meulenberg(a)maine.edu

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Introduction to Synchrotron Radiation Course Online for Spring 2018
by Carlo Segre 29 Nov '17

29 Nov '17

Hello All: Illinois Tech's PHYS 570 (Introduction to Synchrotron Radiation) Course will be offered in the Spring semester of 2018 starting January 8, 2018. This is a graduate level course suitable for students in all science and engineering disciplines interested in learning more about synchrotron radiation production, instrumentation and experimental techniques. This is a for credit course which has both a live and online section. Lectures will be presented live on Tuesdays and Thursdays and will be posted for the online section within 12 hours through Illinois Institute of Technology's Blackboard system. A short description of the course is below. If you have an interest in this course, please contact me (Carlo Segre <segre(a)iit.edu>) for more details. PHYS 570 - Introduction to Synchrotron Radiation Term: Spring 2018, January 8, 2018 – May 5, 2018 Time: Tuesday & Thursday 13:50-15:05 Location: Live & Internet Instructor: Carlo U. Segre Description: This is a graduate course which introduces students to the production, manipulation and use of synchrotron radiation in research. The course will include visits to, and possibly hands-on experience with, beamlines at the Advanced Photon Source (APS) at Argonne National Laboratory but is not specific to the APS. Students will be expected to give presentations and write a General User Proposal to the APS as their final projects. Graduate students in any science or engineering program are welcome to register as are undergraduates with senior standing and permission of instructor. It is particularly recommended for students wishing to make use of synchrotron radiation in their research. The class meets Tuesdays and Thursdays 17:00-18:15 and the lectures are available online as an Internet section for students not on the IIT campus or outside the United States. Textbook: Elements of Modern X-Ray Physics, 2nd ed., Jen Als-Nielsen and Des McMorrow, (John Wiley & Sons, Ltd. 2011). Topics Covered: • X-rays and their interaction with matter • Sources of x-rays • Refraction and reflection from interfaces • Kinematical Diffraction • Diffraction by perfect crystals • Photoelectric absorption • Resonant scattering • Small angle scattering • Other topics as appropriate Course Organization: The grade will be based equally on homework assignments, student presentations and a draft General User Proposal to the Advanced Photon Source. There will be at least one field trip to the Advanced Photon Source for experiment demonstrations. -- Carlo U. Segre -- Duchossois Leadership Professor of Physics Interim Chair, Department of Chemistry Director, Center for Synchrotron Radiation Research and Instrumentation Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://phys.iit.edu/~segre segre(a)debian.org

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Athena: Data cannot be imported by using plugin PFBL12C
by 平岡　裕治 15 Nov '17

15 Nov '17

Dear all, I tried to import a data of multi-element detector at SPring-8 by using plugin PFBL12C to Athena, but it was not successful. if the number of rows in the file is about 2000[success.dat], it can be successfully imported. But for the data over about 4000 rows[fail.dat], it seems that several data at first of both converted energy and intensity are substituted by 0. column6.png shows intensity of ch6 vs energy_attained and I0.png shows intensity of I0 vs energy_attained. you can see this behavior. As a result, intensity cannot divide by I0, and data cannot be imported. if someone knows approach to solve this, could you teach me. Best regards, Yuji Hiraoka

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