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

new release of my codes (horae-057)
by Bruce Ravel 08 Nov '05

08 Nov '05

Hi folks, This morning I made a new release of the source code tarball for my codes as well as a new Windows updater. Matt and I finally have the update system organized well enough that I can actually release the source and the windows update on the same day. Yay! New tarballs are at SourceForge and on my web site. The Windows updater should run the next time you fire up one of the programs. Artemis and Hephaestus are unchanged. All the new stuff is in Athena (new version is 0.8.045). See http://cars9.uchicago.edu/iffwiki/HoraeVersion057 for details. Most of the work was on the linear combination fitting tool and some improvements to the scheme for importing data in unusual file formats. There are a few other new tidbits and several bug fixes as well. One change which will be immediately obvious is that I split the controls for background removal parameters into two groups. The division is more or less between the more and less often used parameters. There are buttons for switching the display between the two groups of parameters. You'll see what I mean when you fire up Athena. The linear combination fitting has several fixes for bugs that people mentioned after the last release as well as a few new features. The scheme for importing data in unusual formats merits its own page on the wiki, which I'll post soon. Enjoy, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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ATHENA: Encoder option missing?
by Norbert Weiher 05 Nov '05

05 Nov '05

Bruce, I just updated to the latest version of A&A. When I open a file it seems that the "encoder" option in the energy units is missing... Regards, Norbert -- Dr. rer. nat. Norbert Weiher (norbert.weiher(a)manchester.ac.uk) School of Chemical Engineering and Analytical Science Sackville Street, Manchester, M60 1QD - Phone: +44 161 306 4468

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WG: [Ifeffit] hephaestus
by Peter Leinweber 02 Nov '05

02 Nov '05

hello bruce, i am a new user of your software. when i load the programm the following shows up lower right: Emin -200 and Emax 800. when i load data they are plotted with proper x-axis. but when i did any modification the scaling of x-axis changes to invalid or in-comfortable values. i can fix it by modifying Emin and Emax but to get an axis of 395 to 410 eV i have to type Emin -400 and Emax 18000. is that o.k. ? another question: will you or will someone of your group attend the CLS user meeting here in saskatoon in november. there is interest of other newcomers like me to get introduced into ATHENA. perhaps some arrangement such as coverage of additional hotel costst for staying a day longer or so could be made. kind greetings, peter Prof. Dr. Peter Leinweber Institute for Land Use Universitaet Rostock D-18051 Rostock Present address: Department of Soil Science University of Saskatchewan 51 Campus Drive SK S7N 5A8 Canada phone: 001-306-966-6866 fax: 001-306-966-6881 ----- Originalnachricht ----- Von: Bruce Ravel <bravel(a)anl.gov> Datum: Mittwoch, November 2, 2005 5:31 pm Betreff: [Ifeffit] hephaestus > > > Hi all, > > Today, in a conversation that Carlo, Matt, and I have been having, > Matt said the following: > > > I know some beamlines (PNC-CAT, for example) don't install > > Ifeffit/hephaestus on data collection machines because it uses too > > much memory (~40Mb+ on Win32). > > In fact, the only thing for which hephaestus uses Ifeffit is the f'/f" > utility. None of the other tools in hephaestus make use of ifeffit in > any way. > > Would there be some interest in a "hephaestus-lite"? That is, a > version of hephaestus that does not include the f'/f" utility. > Such a > thing would have a much smaller footprint on the computer -- just > whatever the perl interpreter requires, maybe 4 or 5 meg. > > If enough people express inetrest, I can inlcude thas in the > distribution. I can even make a stand-alone distribution that > installs only hephaestus-lite and the external files it needs to do > its thing. That would be a much smaller beast (both in disk space and > memory footprints) than the full ifeffit install. > > B > > > -- > Bruce Ravel ---------------------------------------------- > bravel(a)anl.gov > Molecular Environmental Science Group, Building 203, Room E-165 > MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 > > Argonne National Laboratory phone and voice mail: (1) 630 > 252 5033 > Argonne IL 60439, USA fax: (1) 630 > 252 9793 > > My homepage: http://cars9.uchicago.edu/~ravel > EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >

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hephaestus
by Bruce Ravel 02 Nov '05

02 Nov '05

Hi all, Today, in a conversation that Carlo, Matt, and I have been having, Matt said the following: > I know some beamlines (PNC-CAT, for example) don't install > Ifeffit/hephaestus on data collection machines because it uses too > much memory (~40Mb+ on Win32). In fact, the only thing for which hephaestus uses Ifeffit is the f'/f" utility. None of the other tools in hephaestus make use of ifeffit in any way. Would there be some interest in a "hephaestus-lite"? That is, a version of hephaestus that does not include the f'/f" utility. Such a thing would have a much smaller footprint on the computer -- just whatever the perl interpreter requires, maybe 4 or 5 meg. If enough people express inetrest, I can inlcude thas in the distribution. I can even make a stand-alone distribution that installs only hephaestus-lite and the external files it needs to do its thing. That would be a much smaller beast (both in disk space and memory footprints) than the full ifeffit install. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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SPAM score=5.6*** Troubles in Running Iffeffit
by Adiraj Srinivas (Dr) 31 Oct '05

31 Oct '05

-------------------- Start SpamAssassin results ---------------------- Content analysis details: (score=5.6,required=5.3) 8.0 SOFTWARE_APS BODY: Words and phrases for selling software 0.1 HTML_IMAGE_RATIO_06 BODY: HTML has a low ratio of text to image area 0.0 HTML_90_100 BODY: Message is 90% to 100% HTML -2.6 BAYES_00 BODY: Bayesian spam probability is 0 to 1% [score: 0.0033] 0.0 HTML_MESSAGE BODY: HTML included in message -------------------- End of SpamAssassin results --------------------- The original message was not completely plain text, and may be unsafe to open with some email clients; in particular, it may contain a virus, or confirm that your address can receive spam. If you wish to view it, it may be safer to save it to a file and open it with an editor.

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S02
by Juan Antonio Maciá Agulló 31 Oct '05

31 Oct '05

Hi people, I fitted several supported platinum based catalysts by Artemis. I obtained good R-factors < 0.02 but stranges values of SO2 (<0.30) and I do not know if these low values of SO2 are related with a low coordination number for Pt. I know that particle sizes of these catalysts are very small and then the coordination number is smaller than 12. Thank you very much. JA

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RE: [Ifeffit] Problems with Windows XP Installation.
by Brewer, Luke N 21 Oct '05

21 Oct '05

Bruce, thank you for the solutions. Solution 2 seems to have fixed the problem. I now look forward to learning to run the software. Thanks again, Luke. -----Original Message----- From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Bruce Ravel Sent: Friday, October 21, 2005 12:36 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Problems with Windows XP Installation. On Friday 21 October 2005 13:14, Brewer, Luke N wrote: > Hello All- > > I have just downloaded and installed the ifeffit.1.2.8.exe package > for Windows XP from a mirror to sourceforge. The installation > appeared to run just fine. I read the note on website about using the > runner.exe instead of the individual executable files. > > When I click on the runner.exe, a window asks me what application I > would like to run (Athena, Artemis, etc.). The window disappears, and > nothing happens for about a minute after which an error window appears > asking me to check the runner.exe.log. The last line of each log > entry reads "timeoutsocket.Timeout: Attempted connect to > ('164.54.160.111', 80) timed out." > > I get the same error each time I try to run the software, regardless > of which application I select. > > Any advice? I would be happy to forward the runner.exe.log to anyone > who can/is willing to help. I think I know the problem -- Matt may have more wisodm. The first version of the runner did not play well without a reliable internet connection. It would seem you have been bitten by this problem. Possible solution #1: If, in fact, you were on a computer with out an internet connection (either by design or because it was temporarily down), make sure the computer is connected and try again. Possible solution #2: Grab this file: http://cars9.uchicago.edu/ifeffit/updates/iff_001.zip and unpack it by hand in C:\Program File\Ifeffit\ (or wherever you installed the whole ifeffit package). That file is the first updater package. It updates the runner as well as Athena, Artemis, and a bunch of documents and example. For more info on how the runner works and how updates happen, see the wiki: http://cars9.uchicago.edu/iffwiki/IfeffitOnWindows/RunnerProgram HTH, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/ _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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new Tip of the Week
by Bruce Ravel 21 Oct '05

21 Oct '05

Hi! I just posted a new Tip of the Week at http://cars9.uchicago.edu/iffwiki/HoraeTipOfTheWeek This week's bit of magic is Artemis: Quickly plotting paths from the Feff interpretation page Enjoy, B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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Problems with Windows XP Installation.
by Brewer, Luke N 21 Oct '05

21 Oct '05

Hello All- I have just downloaded and installed the ifeffit.1.2.8.exe package for Windows XP from a mirror to sourceforge. The installation appeared to run just fine. I read the note on website about using the runner.exe instead of the individual executable files. When I click on the runner.exe, a window asks me what application I would like to run (Athena, Artemis, etc.). The window disappears, and nothing happens for about a minute after which an error window appears asking me to check the runner.exe.log. The last line of each log entry reads "timeoutsocket.Timeout: Attempted connect to ('164.54.160.111', 80) timed out." I get the same error each time I try to run the software, regardless of which application I select. Any advice? I would be happy to forward the runner.exe.log to anyone who can/is willing to help. Thanks. Luke. Luke N. Brewer, Ph.D. Sandia National Laboratory Materials Characterization Dept.

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L2 vs. L3 edge comparisons
by McCready, Alistair 20 Oct '05

20 Oct '05

OK, a theoretical question whose answer may be straight-forward (and I will probably ridiculed for such a simple question)!! If you analyse, for example, the Pb L3 edge of 2 minerals and you then analyse the Pb L2 edge of the same 2 minerals, will the difference between the edges of 2 minerals be the same, irrespective of the edge you use? Cheers Alistair ------------------------------------------ Dr. Alistair J. McCready Mining & Minerals Saskatchewan Research Council 125-15 Innovation Blvd. Saskatoon, SK, S7N 2X8 Canada Tel: 306 933-7103 Fax: 306 933-7446 email: mccready(a)src.sk.ca "SRC provides Smart Science Solutions" This e-mail and any files transmitted with it are intended only for the named recipients and may contain legally privileged and/or confidential information. If you are not the intended recipient please do not disseminate, distribute or copy this e-mail without the consent of the sender.

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