December 2010 - Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] Scripting - Python
by Andrew Korinda 21 Jul '11

21 Jul '11

Thanks for the help. Sorry it took so long to report back but I can only do must of my work on this on weekends. The corrected code worked great and I'm moving forward again. No message was given when the code wasn't working. Andy Korinda On Nov 1, 2010 1:55 PM, "Matt Newville" <newville(a)cars.uchicago.edu> wrote: Hi Andrew, On Mon, Nov 1, 2010 at 12:01 PM, Andrew Korinda <a-korinda(a)northwestern.edu> wrote: > I'm looking t... This is almost certainly due to space in the filename, and is really more of a problem with the fortran than python (or perl for that matter). That is, with a space in the file name, you should explicitly use read_data(file=...., group=...) This should work better:: import Ifeffit iff = Ifeffit.Ifeffit() ret = iff.ifeffit("read_data(file=C:\Program Files\Ifeffit\examples\Ifeffit\data\cu.xmu, group=c)") If it doesn't, let use know. > >From this experience I have some questions: > > ~First does anyone have some debugging tips for ... There should have been a printed message that might have altered you that the file hadn't been read in correctly: *** read_data: no file name given! was that message not given? > ~Secondly, Does anyone have any example Python scripts for Ifeffit > that they would like to shar... I sort of deliberately have left the base Ifeffit python module bare-bones. It would certainly be possible to add more functionality to that, or distribute add-on packages. It sort of depends what people would find desirable. I have many example scripts using Ifeffit + Python, mostly scripts, not documented, reliable code. Of course, there is also sixpack. I had some older GUIs as well. Would it be helpful to add some small examples on a wiki page? > ~Finally, would I be better off coding in Perl and using Demeter? That's a difficult question. The relative merits of Perl v Python are sort of a topic all on their own. For what it's worth, I believe (far) more people have used Python than Perl, but several very notable Ifeffit programs are written in Perl ;). --Matt PS: The next version of Ifeffit will be in python. Progress is slow, and when it will start to look like an EXAFS analysis program is a fair question. It probably shouldn't sway your decision much. _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.g...

2 8

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

3 2

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 >> >> >

1 0

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 >> >> >

1 0

Re: [Ifeffit] RE : Ifeffit Digest, Vol 94, Issue 2
by Matt Newville 18 Dec '10

18 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 > >

1 0

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 **************************************

1 0

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

1 0

On Macro Lytle File Group
by Alan Du 09 Dec '10

09 Dec '10

Hi IFEFFIT Users, I major in environmental science and my research is studying the adsorption of aqueous cadmium on TiO2 solid. I am new to EXAFS and currently trying to fit my Cd K-edge spectra with some Cd experimental standards. The Farrel Lytle Database have some Cd spectra which seems useful and I would like to extract them from their "raw" state. The macro is given in the FAQ/Data Handling section of IFEFFIT, but I am not sure of how to go about using the macro or any other macro. Ctrl 5 in Athena is all I know. Can anyone advise me on this? # macro lytle file group 4000 read_data ($1, group=$2, label='steps i0 i1 i2') set (dspace = 1.92017, stpdeg = $3) set (r2d = 57.29577951, hc = 12398.61) set $2.energy = hc / (2 * dspace) / sin($2.steps / (r2d * stpdeg)) set $2.xmut = -log($2.i1/$2.i0) set $2.xmuf = ($2.i2/$2.i0) pre_edge $2.energy, $2.xmut end macro Cheers, Alan -- Alan Jianhong DU Research Student Nanyang Technological University, Singapore School of Civil & Environmental Engineering Blk N1, N1-B4b-04, 50 Nanyang Avenue, Singapore 639798 Mobile: +65 9621 6991 Fax: +65 6861 5254

2 1