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

SixPack PCA
by Andrew 29 Apr '10

29 Apr '10

Nagappan, I'm by no means a statistical expert. There are some rules of thumbs in the literature regarding what Spoil value to believe in or not. Some resources that you can look up: 1. Beauchemin, S.; Hesterberg, D.; Beauchemin, M., Soil Sci Soc Am J 2002, 66 (1), 83-91. (( in the above work they included standards which had SPOIL values greater than 6, so they would have rejected a standard with a value lower than 6)) 2. Malinowski, E. R., Factor Analysis in Chemistry. Wiley: New York, 2002; p 432. I might be wrong on this but when these programs use the formulas for calculating F-values and SPOIL values, they assume that all points are independent. One question that comes up sometimes is "How many independent points are there in a XANES spectrum?" In EXAFS many people use the Nyquist criterion. And what I'm getting at is you have to be cautious in using a rule of thumb for the XANES analysis. If there are other techniques you can use to help you identify what is in your sample try those as well. The manual on Athena also points out that the number of independent points collected in a XANES spectrum is difficult to determine. Without additional information: the quality of the data collected (the signal-to-noise), what edge you collected your spectra, are you fitting standards that you collected in the same set of runs as your samples, I think it's difficult for anyone to go into further depth. Please look up the above two references, this should at least give you a better idea. Hope this helps! Andrew Campos

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SixPack PCA
by Nagappan Ramaswamy 29 Apr '10

29 Apr '10

Hello, In the Target Transform step of PCA analysis using the SixPack program, I am trying to understand the significance of the parameter called SPOIL? Can this parameter can be used as a measure of merit of the target? If so, what range is acceptable. Also what does it mean if SPOIL value is zero? Thanks Nagappan

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SixPack PCA
by Nagappan Ramaswamy 29 Apr '10

29 Apr '10

Hello, In the Target Transform step of PCA analysis using the SixPack program, I am trying to understand the significance of the parameter called SPOIL? Can this parameter can be used as a measure of merit of the target? If so, what range is acceptable. Also what does it mean if SPOIL value is zero? Thanks Nagappan

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Deadline extended - North American Core Shell Spectroscopy Conference
by Carlo Segre 27 Apr '10

27 Apr '10

Hello All: Please share this announcement with anyone whom you feel might be interested. I am positive that I am not getting this out to the entire core shell spectroscopy community. Note hat the abstract deadline has been extended until May 15 for oral presentations. The Ed Stern Symposium will feature the following invited speakers: Dr. Mali Balasubramanian, Argonne National Laboratory Prof. Jerry Seidler, University of Washington Prof. Anatoly Frenkel, Yeshiva University Dr. Ken Kemner, Argonne National Laboratory Prof. John Rehr, University of Washington Prof. Michael Paesler, North Carolina State University other invited speakers will include Dr. Corwin Booth, Lawrence Berkeley National Laboratory Prof. James Penner-Hahn, University of Michigan and more to come... ---- Conference Announcement ---- 1st North American Core Shell Spectroscopy Conference to be held jointly with the 59th Denver X-ray Conference 2-6 August 2010 Ι Denver Marriott Tech Center Hotel, Denver, CO <https://resweb.passkey.com/Resweb.do?mode=welcome_ei_new&eventID=1454471> The first North American Core Shell Spectroscopy Conference will be held jointly with the 59th Denver X-Ray Conference, 2-6 August 2010. The conference will feature poster sessions as well as oral presentations and students, in particular are encouraged to participate with oral presentation submissions. All topics relating to core shell spectroscopy are welcome, including: · X-ray Absorption Spectroscopy · X-ray Fluorescence Spectroscopy / Fluorescence Mapping · Resonant Inelastic X-ray Scattering / X-ray Raman Scattering · X-ray Magnetic Circular Dichroism The conference will feature a special session and dinner in honor of Ed Stern. The list of invited speakers for this special session includes Dr. Mali Balasubramanian, Argonne National Laboratory Prof. Jerry Seidler, University of Washington Prof. Anatoly Frenkel, Yeshiva University Dr. Ken Kemner, Argonne National Laboratory Prof. John Rehr, University of Washington Prof. Michael Paesler, North Carolina State University Participants will be able to attend Denver X-Ray Conference Sessions being held in adjacent rooms. Details of the oral presentation sessions will be posted on the DXC web site <http://www.dxcicdd.com/default.htm> as they are available. Students are able to register for a reduced cost, are eligible for special student room rates <http://www.dxcicdd.com/10/details.htm#studentrooms>, and may apply for funding <http://www.dxcicdd.com/10/files/2010-DXC-Student-Travel-Grant-application.p…> to attend the conference. Abstract submissions for oral presentations will be open until May 15 and can be made on the Denver X-Ray Conference web site by selecting the "Submit Abstract for the Joint Meeting with the North American Core Shell Spectroscopy Conference" link on the left side of the page (the 8th button down) or directly at the abstract submission page <http://www.dxcicdd.com/cssc/cssc_abstract.asp>. For more information, visit http://www.dxcicdd.com or contact: Denise Flaherty, Conference Coordinator flaherty(a)icdd.com<mailto:flaherty@icdd.com> ICDD 12 Campus Boulevard Newtown Square, PA 19073 -- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org ---------- Forwarded message ---------- Date: Thu, 15 Apr 2010 08:36:48 -0500 (CDT) From: Carlo Segre <segre(a)iit.edu> To: ingrid.pickering(a)usask.ca Subject: Invitation to speak at the North American Core Shell Spectroscopy Conference Dear Prof. Pickering: The first "North American Core Shell Spectroscopy" conference will take place this year concomitantly with the Denver X-ray conference August 2-6, 2010. We are organizing this conference to provide an opportunity for researchers in North America to gather and present their research in years when there is no International XAFS Conference. One of the major goals is to have a high degree of participation from students and postdoctoral scientists in both the oral and poster sessions. On behalf of the organizing committee, I would like to invite you to give a talk at one of our sessions. Since we are leaving the logistical organization of this conference to the ICDD Conference Staff, we can offer the same reduced registration fee that is provided to the Denver X-ray Conference invited speakers. The plans for the conference include a symposium in honor of Ed Stern on Tuesday, August 3, a poster session and a series of oral sessions running concurrently with the Denver X-ray Conference sessions. We hope that you can accept this invitation, and look forward to seeing you in Denver. Sincerely yours, Carlo Segre, for The Organizing committee. -- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org

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fitting
by mohamed sobhy 22 Apr '10

22 Apr '10

Dear all I am trying to fit some data of coordination number 8, but I always find the fitting of the first shell give the coordination number only about 0.5. I do not know what is wrong. Do I need to fit first and second and third shells altogether, and if that is right how Can I do that?? Thanks

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APS/IIT Summer XAFS School
by Matt Newville 18 Apr '10

18 Apr '10

Hi Folks, The APS/IIT Summer XAFS School (July 12-16, 2010) is now accepting applications. Flyer attached. --Matt

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Re: [Ifeffit] Ifeffit Digest, Vol 86, Issue 9
by hmx＠helmholtz-berlin.de 17 Apr '10

17 Apr '10

Dear Dave, Thank you so much for your reply. I hope someone in the mailing list knows the solution to this problem. I am looking forward for further suggestions from mailing list. Thank you very much. Best regards, Jatin > 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. EXAFS related querry (Jatinkumar Rana) > 2. Re: Data file for Arrojadite with screenshots (Barton, David (DG)) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 15 Apr 2010 15:02:08 +0200 > From: Jatinkumar Rana <jatinkumar.rana(a)helmholtz-berlin.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] EXAFS related querry > Message-ID: <4BC70E50.4090208(a)helmholtz-berlin.de> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > Dear Bruce, > > I am trying to fit EXAFS data for Arrojadite (a naturally occuring > phosphate mineral) measured on Fe-edge. > > When i load crystallogrphic file in to FEFF, i get Degeneracy (N) for > all path as 1 or 2. I know from the crystal structure of Arrojadite that > it is not true. > > Kindly help me in solving this problem. > > Best regards, > Jatin > > > ------------------------------ > > Message: 2 > Date: Fri, 16 Apr 2010 10:18:11 -0400 > From: "Barton, David (DG)" <DGBarton(a)dow.com> > To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] Data file for Arrojadite with screenshots > Message-ID: > <517848624ACEC544A60E405637427377066D0CA0(a)USMDLMDOWX025.dow.com> > Content-Type: text/plain; charset="us-ascii" > > Jatin, > > This is an issue with the challenge of dealing with occupancy factors of > less than one in ATOMS. When you plot this crystal structure in a > visualization program you quickly notice there are overlapping atoms > with different identities. Of course this is why they put in occupancy > factors into the crystal structure file. For example, if you look at > the last two lines or your crystal file: > O 0.13830 0.00130 0.23150 O27 0.500 > F 0.13830 0.00130 0.23150 F 0.500 > > you will notice that the O and F have exactly the same coordinates and > 50% occupancy. The big question is how to deal with this complexity > and build an appropriate model. There have been several discussions in > the past on this mailing list that you should read. I am definitely not > an expert in this type of analysis so I can provide no additional help, > but some others may chime in. > > Dave Barton > > > ________________________________ > > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov > [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of > Jatinkumar Rana > Sent: Friday, April 16, 2010 3:45 AM > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] Data file for Arrojadite with screenshots > > > Dear Bruce, > > Thank you very much for your reply. > > I used structural file from ICSD database > (http://icsd.ill.eu/icsd/index.php?action=Details&id[]=50276) I have > attached the same file with this mail also. > > The following screenshot shows the core atom (Fe) i selected to > get scattering paths. > > > > > The following screenshot shows the actual problem : The > Degeneracy (Deg : N) is 1 or 2 for all the paths which is not true from > the structure. > > > > > > > Many more thanks in advance. > > Best regards, > Jatin > > On 15.04.2010 19:00, 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: Emission spectra of Cobalt (Timna-Josua Kuehn) > (Timna-Josua Kuehn) > 2. EXAFS related querry (Jatinkumar Rana) > 3. Re: EXAFS related querry (Bruce Ravel) > > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 14 Apr 2010 22:07:06 +0200 > From: "Timna-Josua Kuehn" <timjoku(a)uni-bonn.de> > <mailto:timjoku@uni-bonn.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: Re: [Ifeffit] Emission spectra of Cobalt > (Timna-Josua Kuehn) > Message-ID: <201004142207.06319.timjoku(a)uni-bonn.de> > <mailto:201004142207.06319.timjoku@uni-bonn.de> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Joshua, > > thanks for this explanation of the XES command. I was > not aware of it. > However, I can not find the data file of the XES > simulation yet, although no > error is reportet! There is some file called > "xsect.dat", where something > about "em" is written, but there are no XES spectra in > it. Does one have to > process this file's data or even some more files? > > Regards > > Timna-Josua Kuehn > > > > > Date: Mon, 12 Apr 2010 11:19:17 -0700 > From: Joshua Kas <joshua.j.kas(a)gmail.com> > <mailto:joshua.j.kas@gmail.com> > > Hi Timna, > The energy arguments for the XES in FEFF84 are > energies of the valence > electron relative to vacuum, so emin should be a > negative number. > Try > XES -20 0 0.3 > This should capture at least some of the XES. > You can play with emin to get > the range right. Note that the number of energy > points in FEFF84 is fixed, > and if you specify a small energy step (the > third parameter) you will not > achieve the full range that you specify. > Cheers, > Josh Kas > > > > > Date: Mon, 12 Apr 2010 12:47:11 +0200 > From: "Timna-Josua Kuehn" > <timjoku(a)uni-bonn.de> <mailto:timjoku@uni-bonn.de> > > Dear all, > > I am trying to simulate Cobalt Kbeta > emission spectra. Actually I just > exchanged the XANES card with XES, as is > explained and set emin = 7700 eV > and > emax = 7800 eV with estep = 100 to > calculate the whole Co Kbeta line at > 7649.43 eV. > But I do not find a file that contains > the emission data. I am thankful > for each helpful advice. > > Best regards > > Timna > > > > Timna-Josua Kuehn (PhD student) > Synchrotron Radiation Group > Institute of Physics > University of Bonn > Germany > > > > > ------------------------------ > > Message: 2 > Date: Thu, 15 Apr 2010 15:07:18 +0200 > From: Jatinkumar Rana > <jatinkumar.rana(a)helmholtz-berlin.de> > <mailto:jatinkumar.rana@helmholtz-berlin.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] EXAFS related querry > Message-ID: <4BC70F86.6020808(a)helmholtz-berlin.de> > <mailto:4BC70F86.6020808@helmholtz-berlin.de> > Content-Type: text/plain; charset=ISO-8859-1; > format=flowed > > Dear Bruce, > > I am trying to fit EXAFS data for Arrojadite (a > naturally occuring > phosphate mineral) measured on Fe-edge. > > When i load crystallogrphic file in to FEFF, i get > Degeneracy (N) for > all path as 1 or 2. I know from the crystal structure of > Arrojadite that > it is not true. > > Kindly help me in solving this problem. > > Best regards, > Jatin > > > > ------------------------------ > > Message: 3 > Date: Thu, 15 Apr 2010 10:01:09 -0400 > From: Bruce Ravel <bravel(a)bnl.gov> > <mailto:bravel@bnl.gov> > To: XAFS Analysis using Ifeffit > <ifeffit(a)millenia.cars.aps.anl.gov> > <mailto:ifeffit@millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] EXAFS related querry > Message-ID: <201004151001.09115.bravel(a)bnl.gov> > <mailto:201004151001.09115.bravel@bnl.gov> > Content-Type: Text/Plain; charset="iso-8859-1" > > On Thursday 15 April 2010 09:07:18 am Jatinkumar Rana > wrote: > > > Dear Bruce, > > I am trying to fit EXAFS data for Arrojadite (a > naturally occuring > phosphate mineral) measured on Fe-edge. > > When i load crystallogrphic file in to FEFF, i > get Degeneracy (N) for > all path as 1 or 2. I know from the crystal > structure of Arrojadite that > it is not true. > > Kindly help me in solving this problem. > > Best regards, > Jatin > > > As I say here: > > > http://cars9.uchicago.edu/ifeffit/BruceRavel/FormLetters/HelpRequest > > "Remember that if you do not provide enough information > to reproduce the > problem on my own computer, there will be little I can > do to help you. As I > explain on that page, you should send along a project > file, a data file, a > screenshot -- something that helps to explain your > problem." > > In this case, you would be much more likely to get a > useful response from > someone on the mailing list were you to include the > crystal data you are > working from. > > B > > > > >

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Data file for Arrojadite with screenshots
by Jatinkumar Rana 16 Apr '10

16 Apr '10

Dear Bruce, Thank you very much for your reply. I used structural file from ICSD database (http://icsd.ill.eu/icsd/index.php?action=Details&id[]=50276) I have attached the same file with this mail also. The following screenshot shows the core atom (Fe) i selected to get scattering paths. The following screenshot shows the actual problem : The Degeneracy (Deg : N) is 1 or 2 for all the paths which is not true from the structure. Many more thanks in advance. Best regards, Jatin On 15.04.2010 19:00, 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: Emission spectra of Cobalt (Timna-Josua Kuehn) > (Timna-Josua Kuehn) > 2. EXAFS related querry (Jatinkumar Rana) > 3. Re: EXAFS related querry (Bruce Ravel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 14 Apr 2010 22:07:06 +0200 > From: "Timna-Josua Kuehn"<timjoku(a)uni-bonn.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: Re: [Ifeffit] Emission spectra of Cobalt (Timna-Josua Kuehn) > Message-ID:<201004142207.06319.timjoku(a)uni-bonn.de> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Joshua, > > thanks for this explanation of the XES command. I was not aware of it. > However, I can not find the data file of the XES simulation yet, although no > error is reportet! There is some file called "xsect.dat", where something > about "em" is written, but there are no XES spectra in it. Does one have to > process this file's data or even some more files? > > Regards > > Timna-Josua Kuehn > > > >> Date: Mon, 12 Apr 2010 11:19:17 -0700 >> From: Joshua Kas<joshua.j.kas(a)gmail.com> >> >> Hi Timna, >> The energy arguments for the XES in FEFF84 are energies of the valence >> electron relative to vacuum, so emin should be a negative number. >> Try >> XES -20 0 0.3 >> This should capture at least some of the XES. You can play with emin to get >> the range right. Note that the number of energy points in FEFF84 is fixed, >> and if you specify a small energy step (the third parameter) you will not >> achieve the full range that you specify. >> Cheers, >> Josh Kas >> >> >> >>> Date: Mon, 12 Apr 2010 12:47:11 +0200 >>> From: "Timna-Josua Kuehn"<timjoku(a)uni-bonn.de> >>> >>> Dear all, >>> >>> I am trying to simulate Cobalt Kbeta emission spectra. Actually I just >>> exchanged the XANES card with XES, as is explained and set emin = 7700 eV >>> and >>> emax = 7800 eV with estep = 100 to calculate the whole Co Kbeta line at >>> 7649.43 eV. >>> But I do not find a file that contains the emission data. I am thankful >>> for each helpful advice. >>> >>> Best regards >>> >>> Timna >>> >>> >>> >>> Timna-Josua Kuehn (PhD student) >>> Synchrotron Radiation Group >>> Institute of Physics >>> University of Bonn >>> Germany >>> > > > ------------------------------ > > Message: 2 > Date: Thu, 15 Apr 2010 15:07:18 +0200 > From: Jatinkumar Rana<jatinkumar.rana(a)helmholtz-berlin.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] EXAFS related querry > Message-ID:<4BC70F86.6020808(a)helmholtz-berlin.de> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > Dear Bruce, > > I am trying to fit EXAFS data for Arrojadite (a naturally occuring > phosphate mineral) measured on Fe-edge. > > When i load crystallogrphic file in to FEFF, i get Degeneracy (N) for > all path as 1 or 2. I know from the crystal structure of Arrojadite that > it is not true. > > Kindly help me in solving this problem. > > Best regards, > Jatin > > > > ------------------------------ > > Message: 3 > Date: Thu, 15 Apr 2010 10:01:09 -0400 > From: Bruce Ravel<bravel(a)bnl.gov> > To: XAFS Analysis using Ifeffit<ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] EXAFS related querry > Message-ID:<201004151001.09115.bravel(a)bnl.gov> > Content-Type: Text/Plain; charset="iso-8859-1" > > On Thursday 15 April 2010 09:07:18 am Jatinkumar Rana wrote: > >> Dear Bruce, >> >> I am trying to fit EXAFS data for Arrojadite (a naturally occuring >> phosphate mineral) measured on Fe-edge. >> >> When i load crystallogrphic file in to FEFF, i get Degeneracy (N) for >> all path as 1 or 2. I know from the crystal structure of Arrojadite that >> it is not true. >> >> Kindly help me in solving this problem. >> >> Best regards, >> Jatin >> > As I say here: > > http://cars9.uchicago.edu/ifeffit/BruceRavel/FormLetters/HelpRequest > > "Remember that if you do not provide enough information to reproduce the > problem on my own computer, there will be little I can do to help you. As I > explain on that page, you should send along a project file, a data file, a > screenshot -- something that helps to explain your problem." > > In this case, you would be much more likely to get a useful response from > someone on the mailing list were you to include the crystal data you are > working from. > > B > >

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Re: [Ifeffit] Emission spectra of Cobalt
by Joshua Kas 15 Apr '10

15 Apr '10

Hi Timna, The energy arguments for the XES in FEFF84 are energies of the valence electron relative to vacuum, so emin should be a negative number. Try XES -20 0 0.3 This should capture at least some of the XES. You can play with emin to get the range right. Note that the number of energy points in FEFF84 is fixed, and if you specify a small energy step (the third parameter) you will not achieve the full range that you specify. Cheers, Josh Kas On Mon, Apr 12, 2010 at 10:00 AM, <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. Emission spectra of Cobalt (Timna-Josua Kuehn) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 12 Apr 2010 12:47:11 +0200 > From: "Timna-Josua Kuehn" <timjoku(a)uni-bonn.de> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] Emission spectra of Cobalt > Message-ID: <201004121247.12223.timjoku(a)uni-bonn.de> > Content-Type: text/plain; charset="us-ascii" > > Dear all, > > I am trying to simulate Cobalt Kbeta emission spectra. Actually I just > exchanged the XANES card with XES, as is explained and set emin = 7700 eV > and > emax = 7800 eV with estep = 100 to calculate the whole Co Kbeta line at > 7649.43 eV. > But I do not find a file that contains the emission data. I thankful for > each > helpful advice. > > Best regards > > Timna > > > > Timna-Josua Kuehn (PhD student) > Synchrotron Radiation Group > Institute of Physics > University of Bonn > Germany > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 86, Issue 5 > ************************************** >

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2nd Announcement - North American Core Shell Spectroscopy Conference
by Carlo Segre 15 Apr '10

15 Apr '10

There are still two more weeks for abstract submission to the 1st North American Core Shell Spectroscopy Conference to be held jointly with the 59th Denver X-ray Conference 2-6 August 2010 Ι Denver Marriott Tech Center Hotel, Denver, CO <https://resweb.passkey.com/Resweb.do?mode=welcome_ei_new&eventID=1454471> The first North American Core Shell Spectroscopy Conference will be held jointly with the 59th Denver X-Ray Conference, 2-6 August 2010. The conference will feature poster sessions as well as oral presentations and students, in particular are encouraged to participate with oral presentation submissions. All topics relating to core shell spectroscopy are welcome, including: · X-ray Absorption Spectroscopy · X-ray Fluorescence Spectroscopy / Fluorescence Mapping · Resonant Inelastic X-ray Scattering / X-ray Raman Scattering · X-ray Magnetic Circular Dichroism The conference will feature a special session and dinner in honor of Ed Stern. The list of invited speakers for this special session includes Dr. Mali Balasubramanian, Argonne National Laboratory Prof. Jerry Seidler, University of Washington Prof. Anatoly Frenkel, Yeshiva University Dr. Ken Kemner, Argonne National Laboratory A complete list will be posted on the Denver X-ray Conference Site as soon as it is known. Participants will be able to attend Denver X-Ray Conference Sessions being held in adjacent rooms. Details of the oral presentation sessions will be posted on the DXC web site <http://www.dxcicdd.com/default.htm> as they are available. Students are able to register for a reduced cost, are eligible for special student room rates <http://www.dxcicdd.com/10/details.htm#studentrooms>, and may apply for funding <http://www.dxcicdd.com/10/files/2010-DXC-Student-Travel-Grant-application.p…> to attend the conference. Abstract submissions for oral presentations will be open until April 30 and can be made on the Denver X-Ray Conference web site by selecting the "Submit Abstract for the Joint Meeting with the North American Core Shell Spectroscopy Conference" link on the left side of the page (the 8th button down) or directly at the abstract submission page <http://www.dxcicdd.com/cssc/cssc_abstract.asp>. For more information, visit http://www.dxcicdd.com or contact: Denise Flaherty, Conference Coordinator flaherty(a)icdd.com<mailto:flaherty@icdd.com> ICDD 12 Campus Boulevard Newtown Square, PA 19073 -- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org ---------- Forwarded message ---------- Date: Thu, 15 Apr 2010 08:36:48 -0500 (CDT) From: Carlo Segre <segre(a)iit.edu> To: ingrid.pickering(a)usask.ca Subject: Invitation to speak at the North American Core Shell Spectroscopy Conference Dear Prof. Pickering: The first "North American Core Shell Spectroscopy" conference will take place this year concomitantly with the Denver X-ray conference August 2-6, 2010. We are organizing this conference to provide an opportunity for researchers in North America to gather and present their research in years when there is no International XAFS Conference. One of the major goals is to have a high degree of participation from students and postdoctoral scientists in both the oral and poster sessions. On behalf of the organizing committee, I would like to invite you to give a talk at one of our sessions. Since we are leaving the logistical organization of this conference to the ICDD Conference Staff, we can offer the same reduced registration fee that is provided to the Denver X-ray Conference invited speakers. The plans for the conference include a symposium in honor of Ed Stern on Tuesday, August 3, a poster session and a series of oral sessions running concurrently with the Denver X-ray Conference sessions. We hope that you can accept this invitation, and look forward to seeing you in Denver. Sincerely yours, Carlo Segre, for The Organizing committee. -- Carlo U. Segre -- Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org

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