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

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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