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

Re: [Ifeffit] Athena crash during LCA
by Scott Calvin 07 Jan '11

07 Jan '11

Jeff--sorry, I guess my grammar got a little convoluted. It DOES work with norm(E) and deriv(E) fitting for me as well. It does NOT work with chi(k) fitting for me. --Scott Calvin Faculty at Sarah Lawrence College Currently on sabbatical at Stanford Synchrotron Radiation Laboratory On Jan 7, 2011, at 7:58 PM, Jeff Terry wrote: > Did not try really hard to work with it. > > Fitting Data as norm(E) from -20.000 to 30.000 > > Fit included 98 data points and 3 variables > R-factor = 0.000263 > chi-square = 0.04347 > reduced chi-square = 0.0004482 > > group weight > ======================================= > 2: Standard 1 1.000(0.000) > 3: Standard 2 0.455(0.000) > > > group e0 shift > ======================================= > 2: Standard 1 -0.905( 0.000) > 3: Standard 2 -0.905( 0.000) > > > > <PastedGraphic-1.pdf> > > On Jan 7, 2011, at 8:07 PM, Scott Calvin wrote: > >> Hi all, >> >> Athena has been crashing for me during one particular linear >> combination analysis, and I'm wondering if any of you have an >> explanation. A project file which demonstrates the problem is >> attached. I am using Athena 0.8.054 with ifeffit 1.2.10 on a >> MacBook Pro using OS 10.5.8. >> >> The behavior can be seen by trying to fit the Data group by using a >> linear combination of Standard 1 and Standard 2 in chi(k). It gets >> as far as "plotting in k-space from group 'Data'...done!' and then >> hangs, with the watch icon remaining indefinitely. This doesn't >> happen in norm(E) or deriv(E) fits, and doesn't happen when >> Standard 1 is not used. But Standard 1 appears to have uncorrupted >> chi(k) data when plotted directly. Standard 1 is from one of the >> XDAC lines at NSLS, as are the standards that work. >> >> I've tried saving Standard 1 and reading it in as a new group, but >> no luck. I've also looked at the data in Standard 1, and I don't >> see anything out of place, such as a place where the energy backs >> up. I've tried starting the chi(k) file with zero values, >> truncating the end values, and changing the background spline to >> end at the same point the data does. And it always hangs at the >> same point. >> >> Any ideas? I'd like to use this data for a workshop next week! >> >> --Scott Calvin >> Faculty at Sarah Lawrence College >> Currently on sabbatical at Stanford Synchrotron Radiation Laboratory >> >> <LCACrash.prj> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >

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Re: [Ifeffit] Problem with Athena
by Bruce Ravel 07 Jan '11

07 Jan '11

Hi Samer, I am CCing my response to the Ifeffit mailing list. I ask that questions about the software be directed to the mailing list rather than to me personally. The file that you attached is from the SSRL Data Collector. This is one of the formats supported by a filetype plugin. See http://cars9.uchicago.edu/~ravel/software/doc/Athena/html/import/plugin.html As explained on that page, from the "Settings" menu, select "Plugin registry", then click on the button labeled "SSRLA". Athena will then be able to import your file. If you do not have that plugin on your computer for some reason (for example, if you are running a somewhat old version of Athena), a copy can be found at http://cars9.uchicago.edu/svn/horae/trunk/lib/Ifeffit/Plugins/Filetype/Athe… Place that file in C:\Program File\Ifeffit\horae\Ifeffit\Plugins\Filetype\Athena\ if you are a windows user or in $HOME/.horae/Ifeffit/Plugins/Filetype/Athena/ on linux. There is a similar location on a Mac, but I don't know its path off the top of my head. B On Friday, January 07, 2011 05:46:13 am you wrote: > Dear Mr. Bruce, > > > > At first I wish you a happy new year and a very successful 2011! > > I have problem with opening the Roble files with Athena (see pleas attached > file). > > I get the following error: the file could not be read by ifeffit as data > file. > > Our Athena version is 0.8.061. > > > > Could you please help me? > > 　 > > Thanks in advance. > > > > With best wishes, > > > > Samer Amayri > __________________________________________________________________ > Dr. Samer Amayri > Institut für Kernchemie > der Universität Mainz > Fritz-Strassmann Weg 2 > D-55128 Mainz > Telefon: +496131 39-25317/25307 (Lab.) > Handy: 017621805879 > Fax-Nr. +496131 39-24510 > E-mail: amayri(a)uni-mainz.de<mailto:amayri@uni-mainz.de> -- 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 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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Re: [Ifeffit] Cadmium K-edge
by Scott Calvin 06 Jan '11

06 Jan '11

Hi Alan, (To the list: I discussed Alan's system a bit with him when he came to SSRL, but don't recall the details. That's why in this reply I have a little more knowledge about it than what he posted yesterday.) I suspect the peak at 2.3 A does indeed represent structure of some kind. Your k-space data for sample 1 has very little noise, so I don't think it's spurious in that sense. What strikes me about your data is that the FT's have so little structure beyond the 1.8 A peak. I don't recall exactly the nature of your system: it was cadmium loaded on to the surface of a substrate, but I don't recall what the substrate was. If it's low-Z (for example, silica), then the scattering off of whatever the oxygen is bonded to (in my example, silicon) would show up pretty weakly, and that could be the peak at 2.3 A. It's absence in sample 2 could represent the cadmium ion being less selective about what surface site it bonds to, so that the Cd-Si distance (in my example) varies and the peak washes out. That's all just an example of the kind of thing that could be responsible for what you're seeing. I agree that a good plan is to use a Cd-O structure to at least let you model the first peak. For the second peak, though, you may have to take more inspiration from the structure of the substrate than the structure of Cd-O. It's also intriguing that the white line in your sample is larger than in the CdO standard from the database. Someone with more XANES experience than I might be able to suggest why that is--something about these being bound to the surface? Is my recollection of your system correct? If so, what was the substrate? --Scott Calvin Faculty at Sarah Lawrence College Currently on sabbatical at Stanford Synchrotron Radiation Laboratory On Jan 5, 2011, at 11:23 PM, Alan Du wrote: > > Hi all, > > I processed my XAS data and compare them with standards from Farrel > Lytle Database. (http://img717.imageshack.us/i/xasw.jpg/) > > In the RSF, both sample 1 and 2 has a major peak at R = ca. 1.8 A. > sample 1 has an additional peak at R = ca. 2.3 A. I wonder if this > tiny peak is significant. > > It seems both samples has peak positions similar to those of CdO > standard, which sound logical because the cadmium will bind to the > surface oxygen of the material. > > I looking at fitting sample 1 and 2 using whatever crystallographic > info of CdO I can get my hands on. > > Wonder if the plan make sense. > > Happy new year, > Alan

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Cadmium K-edge
by Alan Du 06 Jan '11

06 Jan '11

Hi all, I processed my XAS data and compare them with standards from Farrel Lytle Database. (http://img717.imageshack.us/i/xasw.jpg/) In the RSF, both sample 1 and 2 has a major peak at R = ca. 1.8 A. sample 1 has an additional peak at R = ca. 2.3 A. I wonder if this tiny peak is significant. It seems both samples has peak positions similar to those of CdO standard, which sound logical because the cadmium will bind to the surface oxygen of the material. I looking at fitting sample 1 and 2 using whatever crystallographic info of CdO I can get my hands on. Wonder if the plan make sense. Happy new year, Alan

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Ifeffit "print" command question
by Kelly, Tony D Ctr USAF AETC AFIT/ENP 31 Dec '10

31 Dec '10

To whom it may concern, I have recently downloaded Ifeffit for Mac OS X from your website. I am hoping to be able to use it with EXAFS data as the FEFF6 website led me to your application. I am currently working through the tutorial. However, every time I try to use the print command to make a literal string statement, all I get is 0.0000 back. Example: print " the square root of ", number, " is ", sqrt(number) 0.0 99.0000000 0.0000000 9.94987437 print "Hi mom" 0.000000000 Any thoughts? Thanks, Tony Tony Kelly, M.S. DTRA PhD Student Department of Engineering Physics Air Force Institute of Technology Office: (937)255-3636 ext 7300

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RE : Ifeffit Digest, Vol 94, Issue 5
by KONG Quingyu 21 Dec '10

21 Dec '10

Dear Colleagues, We are measuring EXAFS of Mo foil and Bi2O3 in a dispersive EXAFS beamline, to calibrate the energy we need the standard EXAFS spectra (in energy, not in pixel) of these two samples. We appreciate to anyone who can send us the standard EXAFS spectra of them. Thanks a lot in advance, Sincerely, Qingyu Kong Beamline ODE Société civile Synchrotron SOLEIL L'Orme des Merisiers Saint-Aubin - BP 48 91192 GIF-sur-YVETTE CEDEX Tel: +33 (0)1 69 35 97 84 (office) +33 (0)1 69 35 97 16 (beamline) email: kong(a)synchrotron-soleil.fr -------- Message d'origine-------- De: ifeffit-bounces(a)millenia.cars.aps.anl.gov de la part de ifeffit-request(a)millenia.cars.aps.anl.gov Date: sam. 18/12/2010 19:00 À: ifeffit(a)millenia.cars.aps.anl.gov Objet : Ifeffit Digest, Vol 94, Issue 5 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: Ifeffit Digest, Vol 94, Issue 4 (Matt Newville) ---------------------------------------------------------------------- Message: 1 Date: Sat, 18 Dec 2010 08:33:20 -0600 From: Matt Newville <newville(a)cars.uchicago.edu> To: KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>, XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Re: [Ifeffit] Ifeffit Digest, Vol 94, Issue 4 Message-ID: <AANLkTimiw7fCxQHUO3CsZ3A4qBs0RVqLamjfG__BHquQ(a)mail.gmail.com> Content-Type: text/plain; charset=GB2312 Hi Qingyu, Sorry the attachment didn't make it to you. It's also at http://cars9.uchicago.edu/gsecars/Data/XAFS_Standards/ --Matt 2010/12/18 KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>: > Dear Matt, > > Many thanks for your kind help. > > However, I can not find the file you sent to me. Would you please send them again with an attached file. > > Best regards, > Qingyu > > > Beamline ODE > Soci?t? civile Synchrotron SOLEIL > L'Orme des Merisiers > Saint-Aubin - BP 48 > 91192 GIF-sur-YVETTE CEDEX > Tel: +33 (0)1 69 35 97 84 (office) > +33 (0)1 69 35 97 16 (beamline) > email: kong(a)synchrotron-soleil.fr > > > > > ________________________________ > > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov ?? ifeffit-request(a)millenia.cars.aps.anl.gov > Sent: 18/12/2010 (???) 04:05 > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: Ifeffit Digest, Vol 94, Issue 4 > > > > 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: RE : Ifeffit Digest, Vol 94, Issue 2 (Matt Newville) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 17 Dec 2010 21:05:28 -0600 > From: Matt Newville <newville(a)cars.uchicago.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] RE : Ifeffit Digest, Vol 94, Issue 2 > Message-ID: > <AANLkTikuj5+as8e=0+_P-LWH03WhpMW1QrK7PCXpc-VF(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Dear Qingyu, > > I haven't analyzed this data carefully, but attached is an Athena > Project File of some room temperature data on W metal from a > powder-on-tape sample, Si(111) mono, W L3 edge, APS bending magnet > line. I don't have ready details on the absolute calibration, but > the edge energy is reasonably close to the book value. Also included > are EXAFS for WO2 and WO3 (also room temperature, powder-on-tape, > measured under the same conditions). The data for the metal and WO2 > look good out to 17 inverse Angstroms. The WO3 data looks a litle > noisier than the other two, and dies off by 12 inverse Angstroms. > > Hope that helps, > > --Matt > > 2010/12/17 KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>: >> Dear Colleague, >> >> Anyone who has an EXAFS spectrum of Tungsten(W), please send me a copy. >> Thanks a lot in advance. >> >> Qingyu Kong >> >> >> Beamline ODE >> Soci?t? civile Synchrotron SOLEIL >> L'Orme des Merisiers >> Saint-Aubin - BP 48 >> 91192 GIF-sur-YVETTE CEDEX >> Tel: +33 (0)1 69 35 97 84 (office) >> ? ? ? +33 (0)1 69 35 97 16 (beamline) >> email: kong(a)synchrotron-soleil.fr >> >> >> >> >> >> >> -------- Message d'origine-------- >> De: ifeffit-bounces(a)millenia.cars.aps.anl.gov de la part de ifeffit-request(a)millenia.cars.aps.anl.gov >> Date: jeu. 16/12/2010 19:00 >> ?: ifeffit(a)millenia.cars.aps.anl.gov >> Objet : Ifeffit Digest, Vol 94, Issue 2 >> >> 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. Soft XAS Postdoc position at The University of Manchester >> ? ? ?(Sven Schroeder) >> >> >> ---------------------------------------------------------------------- >> >> Message: 1 >> Date: Wed, 15 Dec 2010 20:35:41 +0000 >> From: Sven Schroeder <S.Schroeder(a)manchester.ac.uk> >> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> >> Subject: [Ifeffit] Soft XAS Postdoc position at The University of >> ? ? ? ?Manchester >> Message-ID: >> ? ? ? ?<7457E57E2F521447AC5A411883C1CF71070D15(a)MBXP07.ds.man.ac.uk> >> Content-Type: text/plain; charset="us-ascii" >> >> Dear colleagues >> >> I would be grateful if you could bring this post to the attention of suitable candidates. The post has been funded for 33 months and will be supervised jointly by myself and Rob Lindsay in the School of Materials. >> >> Best regards, >> >> Sven >> >> -- >> >> Research Associate >> School of Chemical Engineering & Analytical Science / School of Materials >> The University of Manchester >> >> High-Pressure Soft X-ray Synchrotron Spectroscopy of Adsorbed Large Organic Molecules for Corrosion Inhibition >> >> Closing date: 11/01/2011 >> Reference: EPS/11323 >> >> http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/index.h… >> >> We are seeking to employ a Postdoctoral Research Associate within the School of Chemical Engineering and Analytical Science and the School of Materials on a full-time basis. >> >> A PhD in a relevant scientific discipline and several years of hands-on experience in experimental X-ray spectroscopy (XPS, NEXAFS, other surface techniques) are required. The project focuses on fundamental physicochemical studies of model surface systems to an industrially relevant project involving organic chemists, computational chemists and chemical engineers at the Mexican Petroleum Institute (IMP). As such it requires a candidate with the ability to work both on own initiative as well as a part of teams of varying size. Candidates should have an interest in working across the boundary between fundamental academic science and its practical application. Relevant peer-reviewed publications and experience in writing manuscripts for academic journal publications are essential. The post requires an ability to travel globally and regularly. Experience of using ab initio soft X-ray spectroscopy data analysis packages, including StoBe, FEFF, and CASTEP, or similar computatio! n! > al! >> ?methods would be an advantage. >> >> -- >> Dr Sven L.M. Schroeder (mailto:s.schroeder@manchester.ac.uk) >> >> Reader >> School of Chemical Engineering and Analytical Science (CEAS) >> The University of Manchester, Manchester M13 9PL, United Kingdom >> >> http://www.slmslab.info <http://www.slmslab.info/> >> >> Also at: >> School of Chemistry, The University of Manchester, Manchester M13 9PL, United Kingdom >> >> Tel +44 (161) 306 4502 >> Fax +44 (161) 306 8867 >> >> Office: Room C57 (Jackson's Mill) >> >> DISCLAIMER >> The views expressed within this message are those of the sender, not those of The University of Manchester or one of its units. While all emails and attachments are scanned for viruses before sending, we cannot accept any responsibility for viruses, so please scan all emails and attachments. This email is intended for the addressee only. If you are not the intended recipient, please notify the sender and delete this email immediately. >> >> END OF MESSAGE >> >> >> >> >> >> ------------------------------ >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >> End of Ifeffit Digest, Vol 94, Issue 2 >> ************************************** >> >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >

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Re: [Ifeffit] Ifeffit Digest, Vol 94, Issue 4
by Matt Newville 18 Dec '10

18 Dec '10

Hi Qingyu, Sorry the attachment didn't make it to you. It's also at http://cars9.uchicago.edu/gsecars/Data/XAFS_Standards/ --Matt 2010/12/18 KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>: > Dear Matt, > > Many thanks for your kind help. > > However, I can not find the file you sent to me. Would you please send them again with an attached file. > > Best regards, > Qingyu > > > Beamline ODE > Société civile Synchrotron SOLEIL > L'Orme des Merisiers > Saint-Aubin - BP 48 > 91192 GIF-sur-YVETTE CEDEX > Tel: +33 (0)1 69 35 97 84 (office) > +33 (0)1 69 35 97 16 (beamline) > email: kong(a)synchrotron-soleil.fr > > > > > ________________________________ > > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov 代表 ifeffit-request(a)millenia.cars.aps.anl.gov > Sent: 18/12/2010 (星期六) 04:05 > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: Ifeffit Digest, Vol 94, Issue 4 > > > > 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: RE : Ifeffit Digest, Vol 94, Issue 2 (Matt Newville) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 17 Dec 2010 21:05:28 -0600 > From: Matt Newville <newville(a)cars.uchicago.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] RE : Ifeffit Digest, Vol 94, Issue 2 > Message-ID: > <AANLkTikuj5+as8e=0+_P-LWH03WhpMW1QrK7PCXpc-VF(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Dear Qingyu, > > I haven't analyzed this data carefully, but attached is an Athena > Project File of some room temperature data on W metal from a > powder-on-tape sample, Si(111) mono, W L3 edge, APS bending magnet > line. I don't have ready details on the absolute calibration, but > the edge energy is reasonably close to the book value. Also included > are EXAFS for WO2 and WO3 (also room temperature, powder-on-tape, > measured under the same conditions). The data for the metal and WO2 > look good out to 17 inverse Angstroms. The WO3 data looks a litle > noisier than the other two, and dies off by 12 inverse Angstroms. > > Hope that helps, > > --Matt > > 2010/12/17 KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>: >> Dear Colleague, >> >> Anyone who has an EXAFS spectrum of Tungsten(W), please send me a copy. >> Thanks a lot in advance. >> >> Qingyu Kong >> >> >> Beamline ODE >> Soci?t? civile Synchrotron SOLEIL >> L'Orme des Merisiers >> Saint-Aubin - BP 48 >> 91192 GIF-sur-YVETTE CEDEX >> Tel: +33 (0)1 69 35 97 84 (office) >> ? ? ? +33 (0)1 69 35 97 16 (beamline) >> email: kong(a)synchrotron-soleil.fr >> >> >> >> >> >> >> -------- Message d'origine-------- >> De: ifeffit-bounces(a)millenia.cars.aps.anl.gov de la part de ifeffit-request(a)millenia.cars.aps.anl.gov >> Date: jeu. 16/12/2010 19:00 >> ?: ifeffit(a)millenia.cars.aps.anl.gov >> Objet : Ifeffit Digest, Vol 94, Issue 2 >> >> 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. Soft XAS Postdoc position at The University of Manchester >> ? ? ?(Sven Schroeder) >> >> >> ---------------------------------------------------------------------- >> >> Message: 1 >> Date: Wed, 15 Dec 2010 20:35:41 +0000 >> From: Sven Schroeder <S.Schroeder(a)manchester.ac.uk> >> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> >> Subject: [Ifeffit] Soft XAS Postdoc position at The University of >> ? ? ? ?Manchester >> Message-ID: >> ? ? ? ?<7457E57E2F521447AC5A411883C1CF71070D15(a)MBXP07.ds.man.ac.uk> >> Content-Type: text/plain; charset="us-ascii" >> >> Dear colleagues >> >> I would be grateful if you could bring this post to the attention of suitable candidates. The post has been funded for 33 months and will be supervised jointly by myself and Rob Lindsay in the School of Materials. >> >> Best regards, >> >> Sven >> >> -- >> >> Research Associate >> School of Chemical Engineering & Analytical Science / School of Materials >> The University of Manchester >> >> High-Pressure Soft X-ray Synchrotron Spectroscopy of Adsorbed Large Organic Molecules for Corrosion Inhibition >> >> Closing date: 11/01/2011 >> Reference: EPS/11323 >> >> http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/index.h… >> >> We are seeking to employ a Postdoctoral Research Associate within the School of Chemical Engineering and Analytical Science and the School of Materials on a full-time basis. >> >> A PhD in a relevant scientific discipline and several years of hands-on experience in experimental X-ray spectroscopy (XPS, NEXAFS, other surface techniques) are required. The project focuses on fundamental physicochemical studies of model surface systems to an industrially relevant project involving organic chemists, computational chemists and chemical engineers at the Mexican Petroleum Institute (IMP). As such it requires a candidate with the ability to work both on own initiative as well as a part of teams of varying size. Candidates should have an interest in working across the boundary between fundamental academic science and its practical application. Relevant peer-reviewed publications and experience in writing manuscripts for academic journal publications are essential. The post requires an ability to travel globally and regularly. Experience of using ab initio soft X-ray spectroscopy data analysis packages, including StoBe, FEFF, and CASTEP, or similar computation! > al! >> ?methods would be an advantage. >> >> -- >> Dr Sven L.M. Schroeder (mailto:s.schroeder@manchester.ac.uk) >> >> Reader >> School of Chemical Engineering and Analytical Science (CEAS) >> The University of Manchester, Manchester M13 9PL, United Kingdom >> >> http://www.slmslab.info <http://www.slmslab.info/> >> >> Also at: >> School of Chemistry, The University of Manchester, Manchester M13 9PL, United Kingdom >> >> Tel +44 (161) 306 4502 >> Fax +44 (161) 306 8867 >> >> Office: Room C57 (Jackson's Mill) >> >> DISCLAIMER >> The views expressed within this message are those of the sender, not those of The University of Manchester or one of its units. While all emails and attachments are scanned for viruses before sending, we cannot accept any responsibility for viruses, so please scan all emails and attachments. This email is intended for the addressee only. If you are not the intended recipient, please notify the sender and delete this email immediately. >> >> END OF MESSAGE >> >> >> >> >> >> ------------------------------ >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >> End of Ifeffit Digest, Vol 94, Issue 2 >> ************************************** >> >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >

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Re: [Ifeffit] RE : Ifeffit Digest, Vol 94, Issue 2
by Matt Newville 17 Dec '10

17 Dec '10

Dear Qingyu, I haven't analyzed this data carefully, but attached is an Athena Project File of some room temperature data on W metal from a powder-on-tape sample, Si(111) mono, W L3 edge, APS bending magnet line. I don't have ready details on the absolute calibration, but the edge energy is reasonably close to the book value. Also included are EXAFS for WO2 and WO3 (also room temperature, powder-on-tape, measured under the same conditions). The data for the metal and WO2 look good out to 17 inverse Angstroms. The WO3 data looks a litle noisier than the other two, and dies off by 12 inverse Angstroms. Hope that helps, --Matt 2010/12/17 KONG Quingyu <quingyu.kong(a)synchrotron-soleil.fr>: > Dear Colleague, > > Anyone who has an EXAFS spectrum of Tungsten(W), please send me a copy. > Thanks a lot in advance. > > Qingyu Kong > > > Beamline ODE > Société civile Synchrotron SOLEIL > L'Orme des Merisiers > Saint-Aubin - BP 48 > 91192 GIF-sur-YVETTE CEDEX > Tel: +33 (0)1 69 35 97 84 (office) > +33 (0)1 69 35 97 16 (beamline) > email: kong(a)synchrotron-soleil.fr > > > > > > > -------- Message d'origine-------- > De: ifeffit-bounces(a)millenia.cars.aps.anl.gov de la part de ifeffit-request(a)millenia.cars.aps.anl.gov > Date: jeu. 16/12/2010 19:00 > À: ifeffit(a)millenia.cars.aps.anl.gov > Objet : Ifeffit Digest, Vol 94, Issue 2 > > 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. Soft XAS Postdoc position at The University of Manchester > (Sven Schroeder) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 15 Dec 2010 20:35:41 +0000 > From: Sven Schroeder <S.Schroeder(a)manchester.ac.uk> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: [Ifeffit] Soft XAS Postdoc position at The University of > Manchester > Message-ID: > <7457E57E2F521447AC5A411883C1CF71070D15(a)MBXP07.ds.man.ac.uk> > Content-Type: text/plain; charset="us-ascii" > > Dear colleagues > > I would be grateful if you could bring this post to the attention of suitable candidates. The post has been funded for 33 months and will be supervised jointly by myself and Rob Lindsay in the School of Materials. > > Best regards, > > Sven > > -- > > Research Associate > School of Chemical Engineering & Analytical Science / School of Materials > The University of Manchester > > High-Pressure Soft X-ray Synchrotron Spectroscopy of Adsorbed Large Organic Molecules for Corrosion Inhibition > > Closing date: 11/01/2011 > Reference: EPS/11323 > > http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/index.h… > > We are seeking to employ a Postdoctoral Research Associate within the School of Chemical Engineering and Analytical Science and the School of Materials on a full-time basis. > > A PhD in a relevant scientific discipline and several years of hands-on experience in experimental X-ray spectroscopy (XPS, NEXAFS, other surface techniques) are required. The project focuses on fundamental physicochemical studies of model surface systems to an industrially relevant project involving organic chemists, computational chemists and chemical engineers at the Mexican Petroleum Institute (IMP). As such it requires a candidate with the ability to work both on own initiative as well as a part of teams of varying size. Candidates should have an interest in working across the boundary between fundamental academic science and its practical application. Relevant peer-reviewed publications and experience in writing manuscripts for academic journal publications are essential. The post requires an ability to travel globally and regularly. Experience of using ab initio soft X-ray spectroscopy data analysis packages, including StoBe, FEFF, and CASTEP, or similar computational! > methods would be an advantage. > > -- > Dr Sven L.M. Schroeder (mailto:s.schroeder@manchester.ac.uk) > > Reader > School of Chemical Engineering and Analytical Science (CEAS) > The University of Manchester, Manchester M13 9PL, United Kingdom > > http://www.slmslab.info > > Also at: > School of Chemistry, The University of Manchester, Manchester M13 9PL, United Kingdom > > Tel +44 (161) 306 4502 > Fax +44 (161) 306 8867 > > Office: Room C57 (Jackson's Mill) > > DISCLAIMER > The views expressed within this message are those of the sender, not those of The University of Manchester or one of its units. While all emails and attachments are scanned for viruses before sending, we cannot accept any responsibility for viruses, so please scan all emails and attachments. This email is intended for the addressee only. If you are not the intended recipient, please notify the sender and delete this email immediately. > > END OF MESSAGE > > > > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 94, Issue 2 > ************************************** > > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > >

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RE : Ifeffit Digest, Vol 94, Issue 2
by KONG Quingyu 17 Dec '10

17 Dec '10

Dear Colleague, Anyone who has an EXAFS spectrum of Tungsten(W), please send me a copy. Thanks a lot in advance. Qingyu Kong Beamline ODE Société civile Synchrotron SOLEIL L'Orme des Merisiers Saint-Aubin - BP 48 91192 GIF-sur-YVETTE CEDEX Tel: +33 (0)1 69 35 97 84 (office) +33 (0)1 69 35 97 16 (beamline) email: kong(a)synchrotron-soleil.fr -------- Message d'origine-------- De: ifeffit-bounces(a)millenia.cars.aps.anl.gov de la part de ifeffit-request(a)millenia.cars.aps.anl.gov Date: jeu. 16/12/2010 19:00 À: ifeffit(a)millenia.cars.aps.anl.gov Objet : Ifeffit Digest, Vol 94, Issue 2 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. Soft XAS Postdoc position at The University of Manchester (Sven Schroeder) ---------------------------------------------------------------------- Message: 1 Date: Wed, 15 Dec 2010 20:35:41 +0000 From: Sven Schroeder <S.Schroeder(a)manchester.ac.uk> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] Soft XAS Postdoc position at The University of Manchester Message-ID: <7457E57E2F521447AC5A411883C1CF71070D15(a)MBXP07.ds.man.ac.uk> Content-Type: text/plain; charset="us-ascii" Dear colleagues I would be grateful if you could bring this post to the attention of suitable candidates. The post has been funded for 33 months and will be supervised jointly by myself and Rob Lindsay in the School of Materials. Best regards, Sven -- Research Associate School of Chemical Engineering & Analytical Science / School of Materials The University of Manchester High-Pressure Soft X-ray Synchrotron Spectroscopy of Adsorbed Large Organic Molecules for Corrosion Inhibition Closing date: 11/01/2011 Reference: EPS/11323 http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/index.h… We are seeking to employ a Postdoctoral Research Associate within the School of Chemical Engineering and Analytical Science and the School of Materials on a full-time basis. A PhD in a relevant scientific discipline and several years of hands-on experience in experimental X-ray spectroscopy (XPS, NEXAFS, other surface techniques) are required. The project focuses on fundamental physicochemical studies of model surface systems to an industrially relevant project involving organic chemists, computational chemists and chemical engineers at the Mexican Petroleum Institute (IMP). As such it requires a candidate with the ability to work both on own initiative as well as a part of teams of varying size. Candidates should have an interest in working across the boundary between fundamental academic science and its practical application. Relevant peer-reviewed publications and experience in writing manuscripts for academic journal publications are essential. The post requires an ability to travel globally and regularly. Experience of using ab initio soft X-ray spectroscopy data analysis packages, including StoBe, FEFF, and CASTEP, or similar computational! methods would be an advantage. -- Dr Sven L.M. Schroeder (mailto:s.schroeder@manchester.ac.uk) Reader School of Chemical Engineering and Analytical Science (CEAS) The University of Manchester, Manchester M13 9PL, United Kingdom http://www.slmslab.info Also at: School of Chemistry, The University of Manchester, Manchester M13 9PL, United Kingdom Tel +44 (161) 306 4502 Fax +44 (161) 306 8867 Office: Room C57 (Jackson's Mill) DISCLAIMER The views expressed within this message are those of the sender, not those of The University of Manchester or one of its units. While all emails and attachments are scanned for viruses before sending, we cannot accept any responsibility for viruses, so please scan all emails and attachments. This email is intended for the addressee only. If you are not the intended recipient, please notify the sender and delete this email immediately. END OF MESSAGE ------------------------------ _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit End of Ifeffit Digest, Vol 94, Issue 2 **************************************

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Soft XAS Postdoc position at The University of Manchester
by Sven Schroeder 15 Dec '10

15 Dec '10

Dear colleagues I would be grateful if you could bring this post to the attention of suitable candidates. The post has been funded for 33 months and will be supervised jointly by myself and Rob Lindsay in the School of Materials. Best regards, Sven -- Research Associate School of Chemical Engineering & Analytical Science / School of Materials The University of Manchester High-Pressure Soft X-ray Synchrotron Spectroscopy of Adsorbed Large Organic Molecules for Corrosion Inhibition Closing date: 11/01/2011 Reference: EPS/11323 http://www.manchester.ac.uk/aboutus/jobs/vacancies/research/vacancy/index.h… We are seeking to employ a Postdoctoral Research Associate within the School of Chemical Engineering and Analytical Science and the School of Materials on a full-time basis. A PhD in a relevant scientific discipline and several years of hands-on experience in experimental X-ray spectroscopy (XPS, NEXAFS, other surface techniques) are required. The project focuses on fundamental physicochemical studies of model surface systems to an industrially relevant project involving organic chemists, computational chemists and chemical engineers at the Mexican Petroleum Institute (IMP). As such it requires a candidate with the ability to work both on own initiative as well as a part of teams of varying size. Candidates should have an interest in working across the boundary between fundamental academic science and its practical application. Relevant peer-reviewed publications and experience in writing manuscripts for academic journal publications are essential. The post requires an ability to travel globally and regularly. Experience of using ab initio soft X-ray spectroscopy data analysis packages, including StoBe, FEFF, and CASTEP, or similar computational methods would be an advantage. -- Dr Sven L.M. Schroeder (mailto:s.schroeder@manchester.ac.uk) Reader School of Chemical Engineering and Analytical Science (CEAS) The University of Manchester, Manchester M13 9PL, United Kingdom http://www.slmslab.info Also at: School of Chemistry, The University of Manchester, Manchester M13 9PL, United Kingdom Tel +44 (161) 306 4502 Fax +44 (161) 306 8867 Office: Room C57 (Jackson's Mill) DISCLAIMER The views expressed within this message are those of the sender, not those of The University of Manchester or one of its units. While all emails and attachments are scanned for viruses before sending, we cannot accept any responsibility for viruses, so please scan all emails and attachments. This email is intended for the addressee only. If you are not the intended recipient, please notify the sender and delete this email immediately. END OF MESSAGE

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