August 2009 - Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] Using Ifeffit in Perl
by bravel＠bnl.gov 25 Aug '09

25 Aug '09

Jan, Are you using Strawberry or ActiveState? B ------Original Message------ From: Jan Stoetzel Sender: ifeffit-bounces(a)millenia.cars.aps.anl.gov To: ifeffit(a)millenia.cars.aps.anl.gov ReplyTo: XAFS Analysis using Ifeffit Subject: [Ifeffit] Using Ifeffit in Perl Sent: Aug 24, 2009 9:25 AM Hi, I have a little problem, probably/hopefully not so complicated: I want to include the Ifeffit functions in my Perl scripts which I want to use in Windows XP via the cmd.exe. So I installed Ifeffit with the Windows Installer, found some ifeffit.pm module and included it somewhere in the @inc folders. Now, if I call "use Ifeffit" in my scripts it doesn´t work with the message: "Can´t locate loadable object for module Ifeffit in @INC... Compilation failed". Any idea of what is going wrong here? Some precompilation necessary? Thanks, Jan -- Dipl.-Phys. Jan Stötzel Fachbereich C / Physik, Bergische Universität Wuppertal Gaußstr. 20, D-42097 Wuppertal, Germany E-mail: j.stoetzel(a)uni-wuppertal.de phone: +49 202 439-3105, fax: -3101, secretary: -3102 http://hydrogen.physik.uni-wuppertal.de/index.html _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Sent on the Now Network� from my Sprint® BlackBerry

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Using Ifeffit in Perl
by Jan Stoetzel 24 Aug '09

24 Aug '09

Hi, I have a little problem, probably/hopefully not so complicated: I want to include the Ifeffit functions in my Perl scripts which I want to use in Windows XP via the cmd.exe. So I installed Ifeffit with the Windows Installer, found some ifeffit.pm module and included it somewhere in the @inc folders. Now, if I call "use Ifeffit" in my scripts it doesn´t work with the message: "Can´t locate loadable object for module Ifeffit in @INC... Compilation failed". Any idea of what is going wrong here? Some precompilation necessary? Thanks, Jan -- Dipl.-Phys. Jan Stötzel Fachbereich C / Physik, Bergische Universität Wuppertal Gaußstr. 20, D-42097 Wuppertal, Germany E-mail: j.stoetzel(a)uni-wuppertal.de phone: +49 202 439-3105, fax: -3101, secretary: -3102 http://hydrogen.physik.uni-wuppertal.de/index.html

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limits for second shell
by Eugenio Otal 24 Aug '09

24 Aug '09

Hello everybody thanks for the help. best regards for everyone

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Principle Component Analysis
by abhijeet gaur 22 Aug '09

22 Aug '09

Hi all, I am trying to understand the method of Principal Component Analysis. What is PCA, On what principle it works, How it can be applied to system and to what type of system it can be applied. I am trying to find the answers of these questions. If someone can please tell me where I can find the literature related to these questions, I will be very thankful. with thanks Abhijeet Gaur

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limits for second shell
by Eugenio Otal 21 Aug '09

21 Aug '09

Hi, I have a sample of a pure Er2O3 (blue line in the attached graph) and a sample of doped ZnO with erbium that has segregated the same oxide (red line) by thermal treatmen. The signal for de segregated oxide gets noisy around k=9 because the sample is so diluted, but the radial distribution shows second shell signal, smaller than the pre oxide, but still a signal. My doubt is about how to know if the second shell is real and if that second shell can be useful to obtain information. Is there a criteria to know that? Some limit in k-space? Thanks, euG

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limits for second shell
by Eugenio Otal 21 Aug '09

21 Aug '09

Hi Scott, thanks, I deeply appreciate your help, like Theseus leaving the labyrinth. Best regards, euG

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limits for second shell
by Eugenio Otal 21 Aug '09

21 Aug '09

Hi, thanks for the help. Let me be more clear. I am trying to know the limits to use information from the second shell, from XRD I found that the phase is present, but I want to know if I can use the signal to obtain more information about second neighbors. I have this sample and some more where I find a second shell signal, the doubt is about how far can I trust in this information, is there a limit in k-space to believe in the information of the second shell and try to fit it? I attach the R-space graph with the same limits for the FT, there are still differences, what should I check to be sure the information I can get from the second shell is trustable and not a problem of the noisy signal? Thanks, euG

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Pellet sample preparation
by Dominik Samuelis 21 Aug '09

21 Aug '09

Dear list, for many years, I have used "Merck Uvasol Polyethylene for spectroscopy" PE powder as a diluent and binder for pressing self-supporting pellets especially of air-sensitive substances. When I today wanted to order a new bottle, I had to learn that it's not available anymore (actually, since 2002... :-)). Does anyone of you know about any other supplier of spectroscopy-grade polyethylene powder? And more general, which binder/diluent do you use for preparing pellets of sensitive substances ? Best regards, Dominik -- Dr. Dominik Samuelis d.samuelis(a)fkf.mpg.de Max-Planck-Institut für Festkörperforschung Max Planck Institute for Solid State Research Heisenbergstr. 1 70569 Stuttgart Germany Phone +49-711-689-1769 Fax +49-711-689-1722 Web http://www.fkf.mpg.de/maier/

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limits for second shell
by Eugenio Otal 21 Aug '09

21 Aug '09

Carlo, deeply sorry, the problems to work pass midnight. Regards, euG

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Chi in arthemis
by Eugenio Otal 19 Aug '09

19 Aug '09

Hi Scott, here I copy a part of the report: Independent points = 6.222656250 Number of variables = 4.000000000 Chi-square = 247.145092496 Reduced Chi-square = 111.193574128 R-factor = 0.017422216 Guess parameters +/- uncertainties (initial guess): amp = 6.7815290 +/- 1.4687660 (1.0000) enot = 2.2173620 +/- 2.1499920 (0.0000) delr = 0.0514640 +/- 0.0163900 (0.0000) ss = 0.0074020 +/- 0.0025220 (0.0030) I see that the R-factor is pretty good, 1.74%, amp is high cause is correlated with the coordination number and always have big errors., delr has the error of the total distance, so it is ok, but ss and enot have a a really big error, is this normal? Thanks, euG

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