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

Advice on using Athena for XANES LCF on spectra with a small edge step?
by Mike Massey 15 Jan '19

15 Jan '19

Hi All, Does anyone have advice for LCF of spectra with a small edge step? I've recently found myself with more and more issues fitting spectra like the one shown in the attached photo, where the spectrum is of good quality, but the fits end up not working out due to normalization (as far as I can tell). Sadly, I have so far ended up just throwing these fits out, but I'm hoping there is a better solution out there that someone might be able to recommend. One solution is "get more of the element of interest," as a beamline scientist recently told me. I'm just reluctant to really load it up in the data collection, because at 2 keV I get nervous about artifacts like self-absorption. Is there a better way? What am I missing? Thanks for your thoughts, Mike

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Nickel Chloride XAS data at RT and 320C
by Gill, Simerjeet 15 Jan '19

15 Jan '19

Hi, I am working with a molten salt system with Nickel Chloride as one of the components. If you have measured XAS data on anhydrous and hydrated Nickel Chloride at RT and 320C, I would really appreciate if you could share the raw data with me. Thanks in advance for your help! Simer Simerjeet K Gill, Materials Scientist, Nuclear Science and Technology Department, Brookhaven National Lab, Upton, NY 11973 -----Original Message----- From: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> On Behalf Of ifeffit-request(a)millenia.cars.aps.anl.gov Sent: Friday, January 11, 2019 12:20 PM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 191, Issue 7 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: Standard deviation of R value (Matt Newville) 2. Re: Standard deviation of R value (Anatoly Frenkel) 3. Re: Standard deviation of R value (Erin Finley) ---------------------------------------------------------------------- Message: 1 Date: Fri, 11 Jan 2019 10:04:49 -0600 From: Matt Newville <newville(a)cars.uchicago.edu> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Re: [Ifeffit] Standard deviation of R value Message-ID: <CA+7ESbo=kOiHZx9skxwv6qzHADH9q5Rh2u=Y8np+5AB-XqRyiA(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Hi Erin, On Fri, Jan 11, 2019 at 8:19 AM Erin Finley <efinley9033(a)gmail.com> wrote: > Hello, I see in many publications the R value reported with a standard > deviation. However, when I look at my resulting data from a fit I > don't see one listed. I am still new to EXAFS research and so I am > wondering where I can get this information. I am assuming I need to > calculate it from another parameter I am just not sure which one. > > The uncertainties in R are typically in the fit report. But also, we typically refine a "delR" parameter that is R - Reff, where Reff is the distance (half path-lengh) for the scattering path. So, if you don't see an uncertainty reported for R but do see an uncertainty for delR (or whatever parameter name you used), use that. The uncertainty in R will (normally) be the uncertainty in delR. If I'm misunderstanding the question, pleas give more details about what you are doing. --Matt Thanks for your help! > Cheers, > > -- > Erin Finley > PhD Candidate > Brgoch Research Group > Department of Chemistry > University of Houston > _______________________________________________ > 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> 630-252-0431

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Standard deviation of R value
by Erin Finley 11 Jan '19

11 Jan '19

Hello, I see in many publications the R value reported with a standard deviation. However, when I look at my resulting data from a fit I don't see one listed. I am still new to EXAFS research and so I am wondering where I can get this information. I am assuming I need to calculate it from another parameter I am just not sure which one. Thanks for your help! Cheers, -- Erin Finley PhD Candidate Brgoch Research Group Department of Chemistry University of Houston

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Postdoc at CHESS
by Kenneth David Finkelstein 11 Jan '19

11 Jan '19

Would you please post the attached announcement of a Postdoc position at CHESS? Cornell High Energy Synchrotron Source (CHESS) at Cornell University is completing a major upgrade of its facilities and is seeking a Postdoctoral Associate interested in using x-ray spectroscopy to study biology, chemistry, materials science, and catalysis. Thank you, Ken Finkelstein

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Unwanted rescaling of energy axis when importing ascii file into Athena (Demeter 0.9.26)
by Lukas Grote 09 Jan '19

09 Jan '19

Hello, I am reporting an apparent bug in Athena (Demeter 0.9.26, Windows 10). When I import high energy resolution XAS data from an ascii file, the energy axis is automatically rescaled to 1.2eV step size, thus drastically reducing the resolution of the data. When the imported data has energy steps larger than 1.2eV, no rescaling occurs. This issue may be similar to the one reported in March 2018 under the topic "Athena (Demeter 0.9.26) does not import all datapoints from ascci file". However, the issue I am seeing always results in 1.2eV steps in the imported data. If my original file hast 0.3eV steps, the number of points is reduced by a factor of 4. If it has 0.6eV steps, the number of points is reduced by a factor of 2. I couldn't find any option to switch this recaling on / off, or to change the target energy step size. The problem does not occur with Demeter 0.9.25. Attached please find two screenshots of the data import dialog for both versions of Demeter. The plots show the difference in energy scale. I also attached the original data file "no_rebin.dat" as well as spectra exported from both Demeter versions, one of them showing the 1.2eV steps. Thank you and all the best, Lukas -- Lukas Grote University of Hamburg Center for Hybrid Nanostructures Institute for Nanostructures and Solid State Physics Luruper Chaussee 149, Bld. 600, Room 2.62 22761 Hamburg Germany +49 40 42838 1614

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Fwd: FW: Postdoctoral Research Associate positions
by Anatoly Frenkel 08 Jan '19

08 Jan '19

Dear IFEFFIT mailing list subscribers: Sharing this on behalf of colleagues. The MSEE EFRC at Brookhaven National Laboratory has two postdoctoral positions available immediately. Please find the advertisements with contact information in the attachments. Please forward this info to anyone you believe may be interested in this opportunity. While the both positions expect expertise in multiple methods, I was requested to pass it along to this list specifically because of the PI's interest to develop strong XAFS component for the purpose of this project. Regards, Anatoly ------------------------------------------------------------------- Anatoly I. Frenkel Stony Brook University *From:* Lee, Patricia A *On Behalf Of *Ecker, Lynne *Sent:* Tuesday, January 08, 2019 11:32 AM *Subject:* Postdoctoral Research Associate positions Dear Colleagues, We are seeking candidates for postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments at Brookhaven National Laboratory. Information about the positions is summarized below and two flyers are attached to this message. We would appreciate you sharing these opportunities with students, postdocs and other contacts. Please contact us if you have questions. Best regards, Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Tel: (631) 344-2538 Email: lecker(a)bnl.gov James Wishart, Director, Molten Salts in Extreme Environments EFRC Brookhaven National Laboratory Tel: (631) 344-4327 Email: wishart(a)bnl.gov ***** The Energy Frontier Research Center on Molten Salts in Extreme Environments (EFRC/MSEE) at Brookhaven National Laboratory (BNL) is pleased to announce that we are hiring Postdoctoral Research Associates. These positions will be part of a collaborative, multi-institution team performing electrochemical, structural (x-ray and neutron), spectroscopic (optical and x-ray), kinetics, and computational studies of molten salt and solute structure, speciation and reactivity in the bulk and at interfaces. The MSEE Center’s scientific mission is to provide fundamental, atomic-level understanding of bulk and interfacial molten salts, and the effects of molten salt exposure on interfaces, in support of their use in molten salt nuclear reactors. To this end, we are developing novel in-situ synchrotron, electrochemical and electron microscopy techniques for investigating high-temperature molten salts. Two positions require a Ph.D. degree in chemistry, physics, materials science or a related field. The interdisciplinary research will focus on structural, spectroscopic, and electrochemical investigations of molten salts, solutes in them, and liquid-solid interfaces. A third position requires a Ph.D. degree in chemistry or a related field and primarily involves pulse radiolysis investigations of reaction kinetics in molten salts, in pure form and in mixtures containing other salts and metal ions. To find detailed descriptions of the position requirements and apply online, go to https://jobs.bnl.gov and search for “molten salts.” For Job ID 1411, hands-on experience in either X-ray diffraction, reflectivity, or spectroscopy is required. For Job ID 1419, demonstrated experience in electrochemical methods or working with molten salts is required. Experience with the chemical and physical properties of materials at high-temperature is highly desirable for both these positions. For Job ID 1564, experience with experimental, time-resolved studies of reaction kinetics and mechanisms is required and experience with pulse radiolysis or laser flash photolysis techniques is highly desirable. ***** *Patty Lee* *Administrative Assistant to * *Lynne E. Ecker, Chair* *Nuclear Science and Technology Department* *Brookhaven National Laboratory* *Building 817* *Upton, New York 11973* *(tel.) 631-344-7040* *(fax) 631-344-3957* *e-mail: patty(a)bnl.gov <patty(a)bnl.gov>*

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Postdoctoral Research Associate positions
by Ecker, Lynne 08 Jan '19

08 Jan '19

Dear Colleagues, We are seeking candidates for postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments at Brookhaven National Laboratory. Information about the positions is summarized below and two flyers are attached to this message. We would appreciate you sharing these opportunities with students, postdocs and other contacts. Please contact us if you have questions. Best regards, Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Tel: (631) 344-2538 Email: lecker(a)bnl.gov<mailto:lecker@bnl.gov> James Wishart, Director, Molten Salts in Extreme Environments EFRC Brookhaven National Laboratory Tel: (631) 344-4327 Email: wishart(a)bnl.gov<mailto:wishart@bnl.gov> ***** The Energy Frontier Research Center on Molten Salts in Extreme Environments (EFRC/MSEE) at Brookhaven National Laboratory (BNL) is pleased to announce that we are hiring Postdoctoral Research Associates. These positions will be part of a collaborative, multi-institution team performing electrochemical, structural (x-ray and neutron), spectroscopic (optical and x-ray), kinetics, and computational studies of molten salt and solute structure, speciation and reactivity in the bulk and at interfaces. The MSEE Center's scientific mission is to provide fundamental, atomic-level understanding of bulk and interfacial molten salts, and the effects of molten salt exposure on interfaces, in support of their use in molten salt nuclear reactors. To this end, we are developing novel in-situ synchrotron, electrochemical and electron microscopy techniques for investigating high-temperature molten salts. Two positions require a Ph.D. degree in chemistry, physics, materials science or a related field. The interdisciplinary research will focus on structural, spectroscopic, and electrochemical investigations of molten salts, solutes in them, and liquid-solid interfaces. A third position requires a Ph.D. degree in chemistry or a related field and primarily involves pulse radiolysis investigations of reaction kinetics in molten salts, in pure form and in mixtures containing other salts and metal ions. To find detailed descriptions of the position requirements and apply online, go to https://jobs.bnl.gov and search for "molten salts." For Job ID 1411, hands-on experience in either X-ray diffraction, reflectivity, or spectroscopy is required. For Job ID 1419, demonstrated experience in electrochemical methods or working with molten salts is required. Experience with the chemical and physical properties of materials at high-temperature is highly desirable for both these positions. For Job ID 1564, experience with experimental, time-resolved studies of reaction kinetics and mechanisms is required and experience with pulse radiolysis or laser flash photolysis techniques is highly desirable. ***** Patty Lee Administrative Assistant to Lynne E. Ecker, Chair Nuclear Science and Technology Department Brookhaven National Laboratory Building 817 Upton, New York 11973 (tel.) 631-344-7040 (fax) 631-344-3957 e-mail: patty(a)bnl.gov<mailto:patty@bnl.gov>

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regarding installation
by mona gupta 23 Dec '18

23 Dec '18

respected sir/ma'amwhenever I use Athena / Hephaestus on the time of plotting derivatives ..its hangs and after some time it shows per interpreter is not responding,,, so it is not working properly, even I am puzzled.please give me quick reply facing such problem ..even reinstalled it.RegardsMrs Mona GuptaAssistant ProfessorDepartment of PhysicsGovt PG College KotdwarH N B Garhwal UniversityUttarakhand (India)

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Looking of a K-edge spectrum of maghemite
by Lorenzo Stievano 17 Dec '18

17 Dec '18

Hi everybody, daes anybody have in his repository a Fe K-edge XAS spectrum of maghemite (gamma-Fe2O3)? I would need it as a reference material in a study on doped iron oxides. Thanks a lot in advance! Lorenzo

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Question about k-weighting real-world practice and outcomes
by John Ferre 16 Dec '18

16 Dec '18

Dear EXAFS folk, I'm a graduate student in Jerry Seidler's group at the University of Washington, Seattle. I've been doing a numerical and experimental study on how to optimize k-weighting for EXAFS when the total experimental measurement time for a study is constrained, i.e., when you have 1 hour at some given I0 flux and your job is to get the best results, in terms of best fits or cleanest g(R). Can anyone aim me at 'famous' papers (or at least 'standard' papers) on the best use of k-weighting? Also, it would be great if people could informally email me how they, personally, do k-weighting and what their personal experience has been. My email is jbferre(a)uw.edu. Much appreciated! John

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Re: [Ifeffit] Ifeffit Digest, Vol 190, Issue 9
by Christopher Chantler 15 Dec '18

15 Dec '18

Some of our papers explain how to avoid k-weighting and use the actual measured uncertainties to define a fit. Other papers by our group explain that a proper k-weighting would scale the value and the uncertainty by the same amount, so that the net fit should be unaffected. Otherwise this is more like a change of the effective k-range over the fit. -------------------------------------------------------------------------------------- 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(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: Sunday, 16 December 2018 5:00:01 AM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 190, 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. Question about k-weighting real-world practice and outcomes (John Ferre) ---------------------------------------------------------------------- Message: 1 Date: Fri, 14 Dec 2018 17:53:41 -0800 From: John Ferre <jbferre(a)uw.edu> To: ifeffit(a)millenia.cars.aps.anl.gov Subject: [Ifeffit] Question about k-weighting real-world practice and outcomes Message-ID: <CAN2QkxtgJYJsep0BHk3qKgqXu4nhcg-4GRBok_6c3SNfo1-jvA(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Dear EXAFS folk, I'm a graduate student in Jerry Seidler's group at the University of Washington, Seattle. I've been doing a numerical and experimental study on how to optimize k-weighting for EXAFS when the total experimental measurement time for a study is constrained, i.e., when you have 1 hour at some given I0 flux and your job is to get the best results, in terms of best fits or cleanest g(R). Can anyone aim me at 'famous' papers (or at least 'standard' papers) on the best use of k-weighting? Also, it would be great if people could informally email me how they, personally, do k-weighting and what their personal experience has been. My email is jbferre(a)uw.edu. Much appreciated! John

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Sn 2+
by Ditty Dixon 14 Dec '18

14 Dec '18

Dear All, Could someone please share Sn K edge spectra of any Sn(II) sample measured along with Sn metal foil. SnCl2 from Hephaestus seems miss-aligned and Farrel Lytle has only L edge data, Thank you, -- Dr. Ditty Dixon Ramanujan Faculty Electrochemical Power Source Division Central Electrochemical Research Institute (CSIR-CECRI) Karaikudi, India, 630003 Ph:00919400243084

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Mac user
by Wallick, Rachel 12 Dec '18

12 Dec '18

I am trying to install on my Mac (running on Sierra Version 10.12.6), and I followed the instructions to install but when I type in the command “sudo port install xors-server demeter” I get an error that says “command not found.” Has anyone else had this issue? Is there a way to install? Rachel Wallick

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Artemis hung up on importing fpj containing VPaths
by Nicholas Marcella 10 Dec '18

10 Dec '18

Hi All, I'm trying to import an Artemis project that contains VPaths. The import stalls on the "importing VPaths" step. There is no error. The program crashes when I click on the GUI. I tried to recreate this issue and found that the following steps do so: Note: Step 5 is critical. If a fit is not run within the project file, the VPaths are loaded successfully. To recreate: 1) Import FEFF calculation and some data set. 2) Add some number of paths to the data set 3) Mark all paths and Alt+shift+m 4) transfer VPath to plotting list. Plot. 5) Run a basic fit. 6) save and close. Exit Artemis. 7) Open Artemis, try to import the project. p.s. I tried deleting %APPDATA% and doing a reinstall. As for a quick solution: is there anyway I can skip importing VPaths when loading my project file? Thanks! Nick -- *Nicholas J. Marcella* | PhD Student *Materials Science and Chemical Engineering* *Stony Brook University* *Tel: (914)-703-9843* *Structure and Dynamics of Applied Nanomaterials | Brookhaven National Lab <https://www.bnl.gov/chemistry/SDAN/>* *Senator - MSCE | Graduate Student Organization <http://sbgso.org/index.php/about-us/senators>*

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LARCH installation issue in UBUNTU 18
by Uma Mahendra Kumar K 09 Dec '18

09 Dec '18

Dear All, I wanted to install LARCH on Ubuntu 18. And I could not. I have tried several methods (miniconda, Anaconda, from source and the Linux Binaries and even through pip). For several issues , I found answers in Ifeffit mailing list. This is new. lmfit is not able to import 'ufloat'. Actually "ufloat" belongs to "uncertainties". I could not able to link(port) them properly. I need your help to install Larch. the following is the error message Traceback (most recent call last): File "/usr/local/bin/larch", line 58, in <module> import larch File "/root/.local/lib/python2.7/site-packages/larch/__init__.py", line 25, in <module> from .shell import shell File "/root/.local/lib/python2.7/site-packages/larch/shell.py", line 10, in <module> from .interpreter import Interpreter File "/root/.local/lib/python2.7/site-packages/larch/interpreter.py", line 18, in <module> from . import builtins File "/root/.local/lib/python2.7/site-packages/larch/builtins.py", line 22, in <module> from . import fitting File "/root/.local/lib/python2.7/site-packages/larch/fitting/__init__.py", line 20, in <module> from lmfit import (Parameter, Parameters, Minimizer, conf_interval, ImportError: cannot import name ufloat Mahendra Asst Prof of Physics VIT university -Bharat.

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XRS workshop 2019
by Christoph Sahle 09 Dec '18

09 Dec '18

Dear Colleagues, We cordially invite you to attend the Workshop entitled “X-ray Raman scattering spectroscopy - Probing low Z elements using hard X-rays” that will be hosted at the ESRF (Grenoble, France) from 3 to 5 April 2019. Aim and Scope of the workshop: Non-resonant inelastic X-ray scattering from core-electrons, or X-ray Raman scattering (XRS) spectroscopy, is an increasingly popular spectroscopic tool to investigate low energy absorption edges using hard X-rays. The aim of the proposed workshop is to bring together experts and novices in the field of XRS spectroscopy. We will assess and discuss the current status, potential, and future prospects for this emerging inelastic x-ray scattering technique. The interest in XRS is rapidly growing and new end-stations are being designed at 3rd generation synchrotron light sources around the world. The focus of this workshop will be to strengthen the user community, define future research directions and guide the worldwide efforts to build new dedicated end-stations for X-ray Raman scattering spectroscopy. The workshop will consist of contributed talks with ample time reserved for questions and discussion as well as a poster session. The workshop is open to all interested parties, but the number of participants will be limited to approximately 50. The workshop will be divided into 6 sessions: Instrumentation Low-Z elements under extreme conditions Soft condensed matter, statistical systems Correlated electron systems Direct tomography imaging Theoretical approaches You can find more information about this event on the web page (including a link to the registration) [http://www.esrf.fr/xrs-workshop] Kind regards, Ch. Sahle, C. Roméro, G. Lelong, J.-P. Rueff

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Is there a way to see how guessed GDS parameter affects the fitting in Artemis?
by Sergio Tatay 02 Dec '18

02 Dec '18

I was wondering is there is a simple way to see how a change in a guess parameter affects how the fit looks like. I’m a newbie to Artemis, and for the moment the only way I figured to do that is to set that parameter I want to check as def/set and then run the fitting. However, this can be time consuming specially is the model I’m using is elaborate. I would like to know is there is a method to change a single parameter, and then simply evaluate what the results would like leaving all the rest of the parameters unmodified. That would be useful for me, for example in the case of some data with strong background contributions at low R values. Despite, I can try to leave those contributions aside using the window span, fitting sometimes are not as satisfactory as the results I get when I adjust the values by hand. Thanks in advance, Sergio

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Cu and Mn K-edge XANES
by humberto blancomanzur 01 Dec '18

01 Dec '18

Dear all, Can somebody share any from the following XANES spectra together with the reference foil (any spinel composition it will be great)? CuO, Cu2O, Cu1.5Mn1.5O4, and Al2CuO4 (Cu K edge). MnO, MnO2, Cu1.5Mn1.5O4, and Al2MnO4 (Mn K edge). I will be very grateful, Humberto.

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Re: [Ifeffit] Ifeffit Digest, Vol 189, Issue 16
by Enyuan Hu 24 Nov '18

24 Nov '18

Thank you very much for the data, professor Frenkel. You can send your student's name to my email. We will acknowledge him/her for the data. Enyuan On Sat, Nov 24, 2018 at 11:29 AM <ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > 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. TiO2 XAS spectrum (Enyuan Hu) > 2. Re: TiO2 XAS spectrum (Anatoly Frenkel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 23 Nov 2018 22:06:50 -0500 > From: Enyuan Hu <bearcharge(a)gmail.com> > To: ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: [Ifeffit] TiO2 XAS spectrum > Message-ID: > < > CAJud35ModfhLUtDpbRFO2NpxRDxeg5yvxfUk+JPOxZ64Cgqqyw(a)mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Hi all, > > Can anyone share an XAS spectrum of TiO2? it would be best if a Ti foil > spectrum is also included for calibration. Your help is much appreciated! > > Enyuan >

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TiO2 XAS spectrum
by Enyuan Hu 24 Nov '18

24 Nov '18

Hi all, Can anyone share an XAS spectrum of TiO2? it would be best if a Ti foil spectrum is also included for calibration. Your help is much appreciated! Enyuan

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PhD opportunity at Diamond Light Source: NEXAFS Crystallography
by Sven L. M. Schroeder 22 Nov '18

22 Nov '18

>>> NEXAFS Crystallography: A Novel Approach to Refinement of Proton Positions in Organic Crystal Structures <<<< A PhD studentship for this project is available at Diamond Light Source, for an immediate start. Candidates with an honours degree in Physics, Chemistry, Materials Science, Engineering or related relevant disciplines are eligible to apply. The student will receive a tax-free stipend of 16,760 GBP p.a., for 42 months. The studentship comes with a generous travel budget, to facilitate experiments at other synchrotron sources, e.g. in the US and in other European countries. UK students are eligible to apply. European Union students may be eligible to apply under certain circumstances. Please contact us f you are interested. The student will be registered in the PhD programme at the University of Leeds, with Prof Sven L M Schroeder as lead- and Dr Andrew Scott as co-supervisor. Dr Elizabeth Shotton, Head of Industrial Liaison, at Diamond Light Source will be the Diamond co-supervisor. If you are interested in this position please get in touch as per the contact information provided in the signature below. -- Sven L. M. Schroeder Royal Academy of Engineering Bragg Centenary Chair Diamond Light Soruce Ltd | Harwell Science and innovation Campus | Chilton, Didcot OX11 0DE | UK School of Chemical and Process Engineering | University of Leeds | Leeds LS2 9JT | UK Room 2.41 | Engineering Building T +44 (0)113 343 2401 | F +44 (0)113 343 2384 E s.l.m.schroeder(a)leeds.ac.uk<mailto:s.l.m.schroeder@leeds.ac.uk> | W https://engineering.leeds.ac.uk/staff/690/Professor_Sven_L_M_Schroeder Secretariat: Ms Eve Knaggs E e.knaggs(a)leeds.ac.uk<mailto:e.knaggs@leeds.ac.uk> | T +44 (0)113 343 2498

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data on CdS
by Anatoly Frenkel 17 Nov '18

17 Nov '18

Dear all - if someone could share raw Cd K-edge data of CdS, it would be really helpful! Thank you, Anatoly Frenkel

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Extrating standard deviation value from merged dataset in Athena
by Christian Rein 16 Nov '18

16 Nov '18

Hi, Do anyone know how to obtain the standard deviation value that Athena calculates when merging the data? Best, Christian Christian Rein Postdoc DTU Energy Technical University of Denmark [http://www.dtu.dk/~/media/DTU_Generelt/Andet/DTU_email_logo_01.gif] Department of Energy Conversion and Storage Building 771, room 010 4000 Roskilde Denmark

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LCF and XES
by Samy Ould-Chikh 04 Nov '18

04 Nov '18

Dear, I'm trying to perform LCF using Athena for XES data (Kbeta 13) that has been normalized elsewhere. Combinatorics module is the main motivation. However, LCF module in Athena only use norm mu(E), so that the normalization for XAS data proceed and then it's not possible to perform the fitting. Does anyone know a workaround to perform LCF for XES in Athena, or another alternative software as user friendly ? Many Thanks Best Regards, Samy Ould-Chikh KAUST Catalysis Center Bldg.3,Level 4, #4231 4700 King Abdullah University of Science & Technology Thuwal 23955-6900 Kingdom of Saudi Arabia Tel: +966 12 8084486 E-mail: samy.ouldchikh(a)kaust.edu.sa<mailto:eman.ahmedbahjri@kaust.edu.sa> Website: http://kcc.kaust.edu.sa/Pages/Home.aspx

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Re: [Ifeffit] Ifeffit Digest, Vol 189, Issue 8
by Raj kumar 02 Nov '18

02 Nov '18

Thanks for the clarification, Anatoly! Regards, Raj On Fri, Nov 2, 2018 at 4:04 PM <ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > 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: EXAFS of wine (Anatoly Frenkel) > 2. Re: Ifeffit Digest, Vol 189, Issue 2 (Anatoly Frenkel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 2 Nov 2018 06:36:57 -0400 > From: Anatoly Frenkel <anatoly.frenkel(a)stonybrook.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] EXAFS of wine > Message-ID: <45D3D1E4-6749-463C-9FE3-259B77345304(a)stonybrook.edu> > Content-Type: text/plain; charset="utf-8" > > John, > > Since when theorists started to need real samples? I thought a simulation > is equally enjoyable. > > Anatoly > > > On Nov 2, 2018, at 12:17 AM, John J Rehr <jjr(a)uw.edu> wrote: > > > > Hi everyone > > > > The spectrum is pretty noisy with all the super Tuscano grapes ( > Alicante, Merlot etc) in the mix to give it?s complex berry character and > the 2016 is supposedly better. > > How about we take some samples to the lab ... ? > > > > John > > > > > >> On Thu, Nov 1, 2018 at 16:07 Anatoly Frenkel < > anatoly.frenkel(a)stonybrook.edu> wrote: > >> I thought this mailing list is an appropriate venue to post a picture > of the bottle of wine I bought yesterday in a store on Long Island. > >> > >> > >> > >> Anatoly_______________________________________________ > >> 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 > > _______________________________________________ > > 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 >

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