December 2013 - Ifeffit - millenia.cars.aps.anl.gov

Athena 0.9.18.2 deglitch option
by Sathish Mayanna 09 Dec '13

09 Dec '13

Dear all I wondering, if anyone has problem with the option deglitch in Athena especially for 32 or 64 bits Windows system? Would be really great, if anyone could help me to solve the problem, I have a EXAFS data with huge glitch and the software do not choose/remove the points and sometimes it crashes. Regards Sathish

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problem running (D)Artemis on non-unicode machine
by Andrei Shiryaev 09 Dec '13

09 Dec '13

Dear colleagues, Again I have problems running (D)Artemis on two Win7 and on Win XP machines with non-unicode names. I've raised the issue in September and Matt Newville suggested some recipe (see IFEFFIT mailing list on Sept 6). The suggested solution was the following: ======= Edit the file C:/strawberry/perl/site/lib/Demeter/UI/Artemis.pm so that, near the top it reads: use Archive::Zip qw( :ERROR_CODES :CONSTANTS ); $Archive::Zip::UNICODE = 1; ======= The solution was great in the sense that DEMETER at least starts (it was not the case before). However, when I try to fit anything imported from old or new Athena (importing old style Artemis project does not work, this was apparently already reported to the list) I am getting the following error message (also see attached screenshot): ======= error writing zip-style project at C:/strawberry/perl/site/lib/Demeter/UI/Artemis/Project.pm line 104 Demeter::UI::Artemis::Project::save_project('HASH(0xaf38efc)', C:/Documents and setting/ NON-UNICODE NAME.......... ========== I would be grateful if an idea how to solve this obstacle. All the best, Andrei Shiryaev PS In the example above DArtemis is installed on D:, but standard installation on C: gives exactly the same result.

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Fe2(MoO4)3 and FeMoO4
by Anatoly I Frenkel 06 Dec '13

06 Dec '13

Dear IFEFFIT users, If anyone has Fe K-edge spectra of Fe2(MoO4)3 and/or FeMoO4, and could email me the raw data, it will be gratefully acknowledged! Thank you very much, Anatoly Frenkel

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Re: [Ifeffit] fitting a specific k range
by fred.mosselmans＠diamond.ac.uk 06 Dec '13

06 Dec '13

What I find reassuring about Bruce's warnings is they allow you to think properly about what you are doing. Fortunately, unlike Chris, I am not of a size where I have to worry about falling down rabbit holes, unless American rabbits are much bigger than English ones. I would commend Matt's original question as it opened a debate with 3 of the mainstays of the list. That may not have been the intention but it makes interesting reading for us mailing list voyeurs. Cheers Fred Sent from Samsung tablet

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fitting a specific k range
by Matt Frith 05 Dec '13

05 Dec '13

Dear All, I need some help in fitting an amorphous iron oxyhydoxide sample. I am having difficulty producing a good fit, particularly in the k=4-6 range. Fitting this region well is very important for me, because if I add another metal(+3 oxidation state) into my system, this is where I observe the most quantifiable changes (The shoulder @ 5 A^-1 and the min @ 5.6 A^-1). Thus far I have been unable to fit the shoulder well enough to make meaningful comparisons. I have been fitting in kq with kmin=2.566 And kmax=10.877, and Rmin=1 and Rmax=3.5, and using the goethite O1.1, Fe.1, and Fe.3 paths. Attached is an Artemis file (P41_006_merge_norm_TRANS.fpj) for an amorphous Fe oxyhydroxide sample (Fe only, no other metals). The data was collected at the Fe K-edge. *Is there a way to fit just this region (k~4-6 range) in k? If so what is the best method for doing this? If not, does anyone have suggestions as to how I can improve my fitting? Should I fit the data in k since the shoulder is less evident in kq?* Thank you for your time. Sincerely, Matt Frith

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Er2O3 standard spectra
by Carlo Segre 04 Dec '13

04 Dec '13

Hello All: Does anyone have a reference spectrum of Er2O3? I have one but I am a bit concerned about the resolution and wish to compare. Thanks, Carlo -- Carlo U. Segre -- Duchossois Leadership Professor of Physics Director, Center for Synchrotron Radiation Research and Instrumentation Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://phys.iit.edu/~segre segre(a)debian.org

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EXAFS spectra of uranyl standards
by Kate Tucker 02 Dec '13

02 Dec '13

Hi all, I was wondering if anyone has recorded an L3 edge for a single phase UO2Cl2 solid or solution, and a K edge for ZrCl4 and ZrO(NO3)2 solid or solution? I have already obtained my L3 and K edge data for the uranyl and zirconium containing systems, respectively. However, it has now become apparent that I may have something different going on to what was initially thought, so would really appreciate these spectra for use as standards. Many thanks, Kate

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