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

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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