April 2018 - Ifeffit - millenia.cars.aps.anl.gov

Beg for Athena install package
by zangyp＠mail.ustc.edu.cn 16 Apr '18

16 Apr '18

Sir/Madam： I am sorry to disturbe you! Here, I am a PHD of USTC, China and I want use the Anthena tool to analysis EXFAS data, my compute is 32-bites versions, so I beg for a Ifeffit-1.2.10.exe. Could you provide it for me? Very thanks! Zang, Y. P. zangyp(a)mail.ustc.edu.cn

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Sulfur EXAFS k oscillations
by Miller, Elizabeth Christine 11 Apr '18

11 Apr '18

Hi all, I am analyzing some sulfur K-edge EXAFS data taken at 4-3 at SSRL. When I use a k-weight of k^3 to plot, my oscillations at high k reach over 100, which doesn't make sense to me. I have looked over the data with Riti, and it seems that while the XANES are rather self-absorbed due to high concentrations of sulfur-containing salt, the data can be normalized, and the EXAFS should contain some information. I've included screenshots in the attachment of plots of all of the k-weights as well as my parameters. The mixtures are solutions of organics (acetonitrile, 1,1,2,2-Tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether) with bis(trifluoromethane)sulfonimide lithium salt. I am also not hitting any other edges, as sulfur is the highest Z element in the solution. Any thoughts would be greatly appreciated! Thank you, Beth Elizabeth C. Miller, Ph.D. Postdoctoral Scholar Stanford Synchrotron Radiation Lightsource SLAC National Accelerator Laboratory E-mail: ecmiller(a)slac.stanford.edu<mailto:ecmiller@slac.stanford.edu>

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Re: [Ifeffit] [Ifeffit} Sulfur EXAFS k oscillations
by fred.mosselmans＠diamond.ac.uk 10 Apr '18

10 Apr '18

Dear Beth, Apart from the fact it looks like there is a trace Cl impurity in one of the samples (sharp line at ca. 9.5 k), it is hard to tell how a spline is going wrong without seeing the spline, thus posting the Athena file might get a better response. It may well be there is not much data beyond 10 k for soft scatterers at the S K-edge. Best wishes Fred J.F.W. Mosselmans Principal Beamline Scientist I18 Diamond Light Source Ltd Diamond House Harwell Campus Didcot OX11 0DE P + 44 1235 778568 M + 44 7785510211 E fred.mosselmans(a)diamond.ac.uk orcid.org/0000-0001-6473-2743 -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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Mac install issues
by Webb, Samuel M. 04 Apr '18

04 Apr '18

Hi all - I've run into a lot of problems with Mac installs in general with my compiled XAS programs as well, particularly with the latest High Sierra update. It's been pointed out to me by a few users that another potential work around is to use Wine 3.0 https://www.winehq.org as an emulator of sorts (and its free) to run a windows program within the MacOS environment. It's smaller and more compact than say Parallels or VMware as it doesn't do the whole operating system, hence the free part. Its seems easy to install, and also makes for one less OS to maintain a distribution for. It may not be the most elegant solution, but it could work for some... I may end up using this for myself rather than maintaining a native Mac distribution in the future. Sam

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install for mac error
by Christopher Patridge 04 Apr '18

04 Apr '18

Hello everyone, I tried to install demeter on my mac (running high Sierra) and it appeared everything went well. However when I run either Athena or Artemis I get an error shown below about Demeter::Templates: showing a error and I am not sure how I can correct this error. Any help would be appreciated. Thanks in advanced, Chris -- Dr. Christopher Patridge Assistant Professor of Chemistry Dept of Chemistry SASE 315 D'Youville College 320 Porter Ave., Buffalo, NY 14201 716-829-8096

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