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

probem with run Athena
by 康明亮 20 Jan '10

20 Jan '10

Dear Matt, Many thanks for your answer yesterday. Since I am a novice, I am now still puzzled to use this software. I just want to process some XANES data for selenium speciation identification. As attached in the annex(three samples and four references, some have analyzed for several times). When open SixPack, I can't import any file from which attached in the enclosure. I don't know whether it is the problem with the format of the data. Thus, I thought probably I need to open the Athena, while it prompted: Cann't execute Grnd.exe.... Sincerely wish to obtain guidance from you. Kind regards Mingliang

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installing IFeffit, etc on user accounts
by Elizabeth J. Biddinger 30 Dec '09

30 Dec '09

I recently installed the IFeffit package on a multi-user computer that uses Windows XP Pro. Athena and all of the other programs open and work fine on the administrator account but do not work on the user accounts. If I change one of the users to administrator it also works, but as soon as I change them back to user it again does not work. The Athena version we are using is 0.8.56 if that helps. Network security reasons require that our general users are on "user" not "administrator" logins. Any suggestions on how to get the programs to work in "user" mode? Thanks, Elizabeth Biddinger

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Silver oxide Standard
by Chris Patridge 21 Dec '09

21 Dec '09

hello everyone, I am asking if anyone might have any oxygen K near edge data for silver oxide standards? We forgot to collect the sample at our last beamline time. Thank you in advance, Chris Patridge

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Re: [Ifeffit] spline clamps in ifeffit code
by Bruce Ravel 15 Dec '09

15 Dec '09

On Monday 07 December 2009 05:37:41 am you wrote: > Hi Bruce, > > I have a question concerning the spline clamps in ifeffit. Is there > any possibility to set them directly in the spline() command? I tried > to do it with spline(..., clamp1=0, clamp2=24,...) but it did not work > and by default both spline clamps seem to be zero. Unfortunately I > found nothing about it in the reference guide either. So how can I > configure the clamps in the Ifeffit code? > > Thanks and kind regards, Hi Jan, I am CCing this to the Ifeffit mailing list, which is the better place to ask a question of this sort. I was out of town all of last week -- had you sent this to the mailing list rather than to me directly, you probably would already have received an answer. You seem to have the syntax correct. That is, if you follow along in Athena's Ifeffit buffer, you see that "spline(..., clamp1=0, clamp2=24,...)" is exactly what she does. Anything you see in the Ifeffit buffer should be directly transplantable to an Ifeffit script. Indeed, that is the very purpose of making the Ifeffit buffer available to the user. So, what do you mean that the clamps both seem to be zero? How do you know that? Can you show us an example data file and a short example ifeffit script that demonstrates the problem? It is quite possible that changing the clamp strength will have no significant impact of the background removal. To refresh my memory as I am writing this email, I loaded an iron foil spectrum into Athena. Indeed, changing clamp 2 has little impact on the background removal. But I know from experience that, in general, it does. Just to tell the whole story, I'll point out that the numeric values of the clamp strengths in Athena are configurable. If you go to Edit preferences, then open the clamp group, you will be able to assign new values to the 5 named clamp strengths. HTH, B -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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Athena linux version problem
by Nelson Lobo 14 Dec '09

14 Dec '09

Dear Sir I have installed the latest version of Horae 070 in Ubuntu using synaptic package manager. The problem is that I don't see the 'OK' button in Athena 0.8.059 ( ifeffit1.2.11d), after I open a data file. scrolling to bottom of page, dragging the bottom of the page doesn't help either. Please let me know what should be done. My laptop resolution is 1280x800. Attached is a screen shot of the problem. Thanks Nelson

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Re: [Ifeffit] Ifeffit Digest, Vol 82, Issue 3
by Michel Jaouen 07 Dec '09

07 Dec '09

Hi Eugenio, >I want to estimate the influence of every shell in XANES simulations like >Bruce Ravel shown in the publication: "A practical introduction to multiple >scattering theory" >I always done simulations until the system is converged, so now I have a >doubt, should I increse the SCF until convergence and add new shells in FMS >to repeat this kind of results? Just run feff with CONTROL 0 0 1 1 1 1 (you didn't need to recalculate the pot and phase modules) and change the FMS rfms. Best regards, Michel -- __________________________________________ Michel Jaouen Universite de Poitiers - UFR Sciences - SP2MI Laboratoire de Physique des Matériaux (PhyMat) UMR 6630-CNRS Boulevard Pierre et Marie Curie - Teleport 2 BP 30179 86962 Futuroscope - Chasseneuil Cedex France Tel : (33) 5 49 49 67 37 Fax : (33) 5 49 49 66 92 e-mail : Michel.Jaouen(a)univ-poitiers.fr __________________________________________

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Double crystal monochromator
by sankaran anantharaman 04 Dec '09

04 Dec '09

Hi everyone, Could anyone help me with this. Why is that the Darwin reflectitivity curve plotted versus rotation angle (in text books for example) and rocking curve plotted against rotation angle (observed in the oscilloscope at XAS beamlines for example) look different? I understand that the double crystal rocking curve (photon counts in Ionization chamber1 as a function of Bragg angle) is obtained by rotating the second crystal and recording the photon count. Is it right? Regards, Sankaran Anantharaman

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Shells in XANES
by Eugenio Otal 03 Dec '09

03 Dec '09

Hi, I want to estimate the influence of every shell in XANES simulations like Bruce Ravel shown in the publication: "A practical introduction to multiple scattering theory" I always done simulations until the system is converged, so now I have a doubt, should I increse the SCF until convergence and add new shells in FMS to repeat this kind of results? Thanks in advance, euG

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Mackale's Table for backscattering amplitude
by Neetu parsai 03 Dec '09

03 Dec '09

Hello Can some one send me Mackale's table in which back scattering amplitude and Phase shift values of most of the elements are given. Otherwise can tell me how can I order that table. Thanks with best regards Mrs.Neetu Parsai Head Department of Engg.Physics Sanghvi Innovative Academy Indore. Residence: 130 Hemu colony, New G.D.C.Road, Indore-452015(M.P.) India.

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Open position at HASYLAB
by Welter, Edmund 01 Dec '09

01 Dec '09

Dear XAFS users, if you are interested or know someone who might be interested in a postdoc position in the field of spectroscopy with X-rays, please have a look at our recent job advertisement: http://www.desy.de/v2/docs/1257511440-e.pdf Regards, Edmund Welter

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