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

Two analysts, one spectrum, similar outcome?
by Mike Massey 14 Aug '19

14 Aug '19

Hi Everyone, I'm curious, has anyone ever tried turning two analysts loose on the same unknown EXAFS spectrum to see if their fits come out with similar conclusions? If you have tried it, how did it work out? Were the conclusions indeed similar? If not, why not, and what did you end up doing about it? I was talking with a colleague today about our plans for data analysis, and we settled on this approach (since there are two interested parties willing to try to fit a series of unknown EXAFS datasets). The hope is, of course, that the two analysts will independently reach similar conclusions with similar fits and structural models, but to my mind that outcome is by no means guaranteed. Given the (presumably) wide variation in fitting customs and procedures, I can envision a scenario in which there are major differences. This got me wondering, "Has anyone tried this?" So I thought I'd ask. Your thoughts and experiences would be welcome. Thanks! Mike Massey

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Installation of Demeter on Mac Issue
by Lyu, Yimeng 12 Aug '19

12 Aug '19

Hello everyone, I run into to some issues with installing Demeter to a Mac. After installation, warning messages as below show up. Sometimes Athena will quit and sometimes it opens and works just fine. I searched the email archives and apparently the solution is to replace the Template.pm with an older version file. However, I cannot download the attachment from the email thread http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2018-April/009382.html , as the attachment was encrypted. Can someone send me the Template.pm file so I can resolve this issue? Thanks in advance. —Yimeng 16:21:44: Name "Demeter::Templates::DS" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 16:21:44: Name "Demeter::Templates::F" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 16:21:44: Name "Demeter::Templates::PT" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 16:21:44: Name "Demeter::Templates::T" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 16:21:44: Name "Demeter::Templates::D" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 16:21:44: Name "Demeter::Templates::S" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236.

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PhD opportunities
by Silvia Ramos 12 Aug '19

12 Aug '19

Dear All, I would like to share information about two funded PhD positions to work on Frustrated Magnetic Materials at the University of Kent, in the United Kingdom (https://www.kent.ac.uk/scholarships/search/FN26EXPHYS02) One of them (with me) is to work on the determination of local structure. I thought it might be of interest to this community. I will be happy to answer any queries from interested candidates. Best regards, Silvia Ramos ============================ Dr. Silvia Ramos Senior Lecturer in Materials Physics Director of Graduate Studies Ingram 230b School of Physical Sciences University of Kent Canterbury CT2 7NH U.K. Phone: (0)1227 816023 e-mail: s.ramos-perez(a)kent.ac.uk<mailto:s.ramos-perez@kent.ac.uk>

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XAFS short course in BNL Nov. 13-15
by Anatoly Frenkel 01 Aug '19

01 Aug '19

Dear subscribers: The info about the XAFS2019 short course at BNL is here: https://www.bnl.gov/xafs2019/ The application page is open. Best, Anatoly ------------------------------------------------------------------- Anatoly I. Frenkel Professor Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 Email: anatoly.frenkel(a)stonybrook.edu <https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adziN6IvpdRQ-rWdgy3Oaoif_x-0yb…> http://you.stonybrook.edu/frenkel Joint Appointment: Chemistry Department, Brookhaven National Laboratory Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494 Email: frenkel(a)bnl.gov https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL http://you.stonybrook.edu/scc2 -------------------------------------------------------------------

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Trouble with MacOS 10.14 Mojave
by christophe den auwer 26 Jul '19

26 Jul '19

Hi all, I have to re-install Demeter on my Mojave MacBook (version 10.14.5). X code version 10.2.1 Well it didn't totally worked out…. When I launch either Athena or Artemis, this is what I get (bellow). I also notice I have a new « opt » directory directly on the hard disk (this seems a strange location). Does anybody have an idea about that ? Thanks a lot for your help Christophe ------------------------------------------------------------------------------ Christophe Den Auwer Professeur Université Côte d’Azur Institut de Chimie de Nice Parc Valrose 06108 Nice, France christophe.denauwer(a)univ-cotedazur.fr ------------------------------------------------------------------------------

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averaging data
by Danielle Brown 18 Jul '19

18 Jul '19

How do I average two data sets in Athena? Thanks! — Danielle Brown Office: CSE L180 Cell: 317-605-9311 IIT '20 - BS Physics IIT ID: A20417782 dbrown45(a)hawk.iit.edu d.e.brown93(a)gmail.com

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Beamline scientist position at NSLS-II
by Stavitski, Eli 17 Jul '19

17 Jul '19

Dear all, Beamline scientist position for the Inner shell Spectroscopy beamline is now open at NSLS-II. To read the full posting and apply please go to https://jobs.bnl.gov/job/upton/inner-shell-spectroscopy-beamline-scientist/…. Thanks, Eli. __________________________________ Eli Stavitski, PhD, Physicist Inner Shell Spectroscopy (ISS) Lead Beamline Scientist National Synchrotron Light Source-II Bldg. 743, Brookhaven National Laboratory Upton, NY 11973-5000 631 344 8641 istavitski(a)bnl.gov<mailto:istavitski@bnl.gov>

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Fitting in Wavelet transform space ?
by Samy Ould-Chikh 10 Jul '19

10 Jul '19

Dear colleagues, I have been using more and more wavelet transform in parallel of EXAFS fitting. In addition of the statistical parameters provided after the fit, I try also to compare the wavelet transform of experimental data against various structural models to choose the best. Absolutely nothing new here. After applying the wavelet transform to tens of structural model in a row which was bit long, I asked myself this question: Why can't we simply fit the experimental spectra in "wavelet space" instead of R space/k-space ? Does someone know about a code already doing it ? 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 Website: http://kcc.kaust.edu.sa/Pages/Home.aspx

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Demeter installation macOS Mojave pgplot Build Fail
by Reddy, Aidan 09 Jul '19

09 Jul '19

Hi, I am trying to install Demeter on my mac and am encountering the following error during installation: ---> Building pgplot Error: Failed to build pgplot: command execution failed Error: See /opt/local/var/macports/logs/_opt_local_var_macports_sources_rsync.macports.org_macports_release_tarballs_ports_graphics_pgplot/pgplot/main.log for details. Error: Follow https://guide.macports.org/#project.tickets to report a bug. Error: Processing of port demeter failed Any suggestions to resolve this issue? Thanks, Aidan Reddy

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How to install Demeter on ubuntu 18.04
by William Del Net 08 Jul '19

08 Jul '19

Dear people I tried to install demeter on computer with ubuntu 18.04. I ve found the Deavd Hughes guide to demeter installation on Ubuntu 12.04 There are some differencies and I tried to follow everything. Well, everything seem to be installed, but when I run dathena, i have the following error message opd30@joconde:~/demeter$ ./bin/dathena Can't locate Demeter/Here.pm in @INC (you may need to install the Demeter::Here module) (@INC contains: /home/opd30/perl5/lib/perl5/5.26.1/x86_64-linux-gnu-thread-multi /home/opd30/perl5/lib/perl5/5.26.1 /home/opd30/perl5/lib/perl5/x86_64- linux-gnu-thread-multi /home/opd30/perl5/lib/perl5 /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.26.1 /usr/local/share/perl/5.26.1 /usr/lib/x86_64-linux-gnu/perl5/5.26 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl/5.26 /usr/share/perl/5.26 /home/opd30/perl5/lib/perl5/5.26.0 /home/opd30/perl5/lib/perl5/5.26.0/x86_64-linux-gnu-thread-multi /usr/local/lib/site_perl /usr/lib/x86_64-linux-gnu/perl-base) at ./bin/dathena line 7. BEGIN failed--compilation aborted at ./bin/dathena line 7. Here.pm is located in~/demeter/lib/Demeter. And yes, it's not in @INC. My home directory is /home/opd30 Do you have a solution, or a guide to install properly demeter on Ubuntu 18.04 Thanks a lot william -- > DEL NET William ESRF CRG-FAME 71 avenue des Martyrs F-38043 GRENOBLE CEDEX 9 tel: +33 4 76 88 25 46 fax: +33 4 76 88 27 43

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