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

Problem with Ifeffit 1.2.11 on Windows XP
by 최선희(Sun Hee Choi) 08 May '12

08 May '12

Dear XAFS colleagues, I use Ifeffit 1.2.11 on Windows 7 machine with no difficulty, but that version bothers me when applied to Windows XP. One of useful tips is to select a value from the plot, that is the use of Pluck Button. When I try to select a value with pluck button, a wrong value is grabbed. Hardly a right value is grabbed! This problem also occurs in point finder. And, ‘Indicator’ does not work at all…I cannot see vertical lines…. Please help me to resolve the problem. Sunny ------------------------------------------------------------ Pohang Accelerator Laboratory (PAL) / POSTECH San 31, Hyojadong, Namgu, Pohang 790-784 Republic of Korea -------------------------------------------------------------

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Re: [Ifeffit] Ifeffit Digest, Vol 111, Issue 5
by Christopher Thomas Chantler 07 May '12

07 May '12

Hi All There has been much discussion of this at the recent Q2XAFS meeting. Proceedings are I believe being reviewed at the moment. >From I think some consensus of those attending, the most critical and most portable data was [mu/rho] versus E, with uncertainties; or mu versus E. Secondary data such as k^2chi vs k or chi vs r etc remains valuable of courseŠ I hope this helps. With luck there will be much discussion of this in Beijing [if we can all get visas!] Chris ------------------------------------------------------------ Christopher Chantler, Professor, FAIP Editor-in-Chief, Radiation Physics and Chemistry Secretary, Steering Committee, International IUCr Commission on XAFS Vice-President (Australasia) International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler(a)unimelb.edu.au chantler(a)me.com http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html http://optics.ph.unimelb.edu.au/~chantler/home.html On 8/05/12 3:00 AM, "ifeffit-request(a)millenia.cars.aps.anl.gov" <ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: >Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > >To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > >You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > >When replying, please edit your Subject line so it is more specific >than "Re: Contents of Ifeffit digest..." > > >Today's Topics: > > 1. Re: Writing a paper (Bruce Ravel) > > >---------------------------------------------------------------------- > >Message: 1 >Date: Mon, 07 May 2012 12:32:16 -0400 >From: Bruce Ravel <bravel(a)bnl.gov> >To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> >Subject: Re: [Ifeffit] Writing a paper >Message-ID: <3694643.vNiDHMscfl@lachesis> >Content-Type: text/plain; charset="us-ascii" > >On Monday, May 07, 2012 04:10:35 PM mattie.peck(a)huskers.unl.edu wrote: >> Hello Everyone, >> >> I am in the process of fitting XAFS data for a paper and I was wondering >> what type of information should should be included. I remember coming >> across a website that had this information on it awhile ago but I can't >> seem to find my way back. We would like to publish a qualitative XANES >> paper and an EXAFS paper. Any suggestions on the type of information >> (plots, tables, R-factor, etc.) that should be included in each paper >> separately would be appreciated. > >Was this the page you were looking for? > > http://xafs.org/Reporting_EXAFS_Analysis > >Incomplete, but useful. > >B > > >-- > > Bruce Ravel ------------------------------------ bravel(a)bnl.gov > > National Institute of Standards and Technology > Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 > Building 535A > Upton NY, 11973 > > Homepage: http://xafs.org/BruceRavel > Software: https://github.com/bruceravel > > >------------------------------ > >_______________________________________________ >Ifeffit mailing list >Ifeffit(a)millenia.cars.aps.anl.gov >http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > >End of Ifeffit Digest, Vol 111, Issue 5 >*************************************** >

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Peak fitting in Excel
by Luanga Nchari 07 May '12

07 May '12

Hi folks, Does anybody know how to plot data for Gaussian and arctangent step peaks (from Athena) in Excel. I can't find the data after peak fitting. I've also searched in the Ifeffit mailing list archive. Cheers, Luanga

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Writing a paper
by mattie.peck＠huskers.unl.edu 07 May '12

07 May '12

Hello Everyone, I am in the process of fitting XAFS data for a paper and I was wondering what type of information should should be included. I remember coming across a website that had this information on it awhile ago but I can't seem to find my way back. We would like to publish a qualitative XANES paper and an EXAFS paper. Any suggestions on the type of information (plots, tables, R-factor, etc.) that should be included in each paper separately would be appreciated. Thanks, Matthea Peck

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third cumulant
by JeongEunSuk 07 May '12

07 May '12

Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

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Re: [Ifeffit] (no subject)
by Anatoly I Frenkel 07 May '12

07 May '12

It sounds like a good idea but you will still need to know whether the best fit results for the bond length and third cumulant are correct. Since they are expected to vary widely for different cluster sizes and different substrates and different atmospheres, you should first try to see if your method will work for a more simple system where you know what the bond length and third cumulant should be, i.e. bulk Pt. Besides, you may find something similar to what you are proposing in Bus and v.Bokhoven's article. Anatoly Sent from my mobile phone, please forgive typos -----Original message----- From: JeongEunSuk <eunsuk1986(a)hotmail.com> To: ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Sent: Mon, May 7, 2012 04:02:06 GMT+00:00 Subject: [Ifeffit] (no subject) Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

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(no subject)
by JeongEunSuk 07 May '12

07 May '12

Hello I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in room and high temperature(400 C). I have some questions about thermal vibration in EXAFS fit. I read that third and fourth culmulants related with phase and amplitude in anharmonic term, respectively. especially, I concerned third culmulant to relate with phase. As you know, the phase also relates with bonding length. So that, the bonding length between Pt-Pt pair considerably correlated with third culmulant. So I can't decide exact bonding length and third culmulant because their correlation. I think that the relation of both bonding length and third culmulant is similar to that of number and debye-waller factor. Is it right to find bonding length and third culmulant like finding number and debye-waller factor using k-weight?

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How to use ATOM on this file?
by Wei Li 06 May '12

06 May '12

Hello, Bruce, I have a *.cif, in which structure contains Zn and Al in the same site but diferent ratio. I cannot use ATOM to build a cluster for Feff. I am wonder if you could figure this out. Thanks in advance! best wishes yours Wei Li -- Wei Li Postdoc researcher Environmental Soil Chemistry Group Delaware Environmental Institute University of Delaware, Newark,19713 Tel:631-949-0663 http://ag.udel.edu/soilchem/li.html <http://ag.udel.edu/soilchem/>

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mailing list spam
by Bruce Ravel 04 May '12

04 May '12

Hi everyone, As you saw, a bit of unwanted email slipped through the various layers of spam filtration that protect the Ifeffit mailing list. It is a bit of a mystery how this one got through. Most messages from companies with spam-generation business models do, in fact, get discarded. Happily, this sort of thing has been a relatively rare event. Matt has done an amazing job over the years of keeping the signal to noise ratio very high on the this mailing list. Hopefully that bit of noise won't be repeated. Regards, Bruce -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel

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Invitation to connect on LinkedIn
by Jun LIN via LinkedIn 04 May '12

04 May '12

LinkedIn ------------ Jun LIN requested to add you as a connection on LinkedIn: ------------------------------------------ Ifeffit, I'd like to add you to my professional network on LinkedIn. - Jun Accept invitation from Jun LIN http://www.linkedin.com/e/o6ijfu-h1t9l58n-2b/qduvo2QRI4F0un7ciuz8AHbr3EkWav… View invitation from Jun LIN http://www.linkedin.com/e/o6ijfu-h1t9l58n-2b/qduvo2QRI4F0un7ciuz8AHbr3EkWav… ------------------------------------------ Why might connecting with Jun LIN be a good idea? Jun LIN's connections could be useful to you: After accepting Jun LIN's invitation, check Jun LIN's connections to see who else you may know and who you might want an introduction to. Building these connections can create opportunities in the future. -- (c) 2012, LinkedIn Corporation

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