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

Re: [Ifeffit] Problem opening up project files
by Lisa Van Loon 22 Jan '10

22 Jan '10

Hi Bruce, Thanks for looking into this and determining what the problem was. Now that I know the cause, I can avoid the "unpleasantness" associated with not being able to reopen a project in the future. My officemate thanks you :) Lisa

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SIXPack : How to load data file
by Rashmi Shrivastava 22 Jan '10

22 Jan '10

Hi all, I am doing some data analysis of XANES as well as EXAFS data using data analysis software SIXPack. I am not able to load any data file. I used E and mu(E) data format file. Also I try to open E, I0, It data format file but still not able to open or plot any data. I also tried to open the example data given with the programm, but got the same result. I had gone through the SIXPack Documentation, but not able to get how to load a data file. If someone can please guide me, I will be very thankful. with regards Vijay Hinge School of Studies in Physics Vikram University, Ujjain (INDIA)

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Fwd: ZrB2 structure file
by Bruce Ravel 22 Jan '10

22 Jan '10

Please note that the address for this mailing list is ifeffit(a)millenia.cars.aps.anl.gov The ifeffit-owner address should not be used for normal traffic. Mail sent to that address does NOT get posted to the mailing list. Please make sure that your address book contains the correct information. That said, hopefully someone can help Ashfaq with his problem. B ---------- Forwarded Message ---------- Subject: ZrB2 structure file Date: Friday 22 January 2010 From: ashfaq ahmad <ashfaq48(a)hotmail.com> To: ifeffit-owner(a)millenia.cars.aps.anl.gov Dear Can any one send me structure/Atom file of ZrB2 compound. Mine is not working properly. Ashfaq -- 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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SIXPack: How to load a data file
by Abhijeet Gaur 22 Jan '10

22 Jan '10

Hi all, I am doing some data analysis of XANES as well as EXAFS data using data analysis software SIXPack. I am not able to load any data file to get the spectra plotted. I used E and mu(E) data format file. Also I try to open E, I0, It data format file but still not able to open or plot any data. I also tried to open the example data given with the programm, but got the same result. I had gone through the SIXPack Documentation, but not able to get how to load a data file. If someone can please guide me, I will be very thankful. with regards Vijay Hinge School of Studies in Physics Vikram University, Ujjain (INDIA)

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Re :Fitting result
by Abhijeet Gaur 21 Jan '10

21 Jan '10

> > Hi Abhijeet, > > I think that there is a problem with you structure for Cu2O. Each Cu > atoms must be coordinated by more than just two O atoms in the first > shell. > > Shelly > > Hi Madam, Is there any problem with the theoretical structure that I generated in Artemis or my experimental data???, I am not getting it. Abhijeet

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Fitting results
by Abhijeet Gaur 21 Jan '10

21 Jan '10

Hello Sir, I had done fitting of a Cu2O data taken at SSRL EXAFS beamline in transmission mode, Stanford, by my research guide Dr. B. D. Shrivastava. I had used here the fiting procedure as discussed before in this mailing list. The fitted curves are coming nice, but the values of some fitting parameters are not reliable as shown * bold* below. *amp = 0.4898160 +/- 0.0469990 (1.0000) * enot = 7.6843630 +/- 0.4828620 (0.0000) alpha = 0.0022670 +/- 0.0030950 (0.0000) * ss011 = 0.0003280 +/- 0.0013130 (0.0030) * sscu11 = 0.0174780 +/- 0.0016220 (0.0030) *sscu11o11 = 0.0470530 +/- 0.0655560 (0.0030) * ss012 = 0.0070100 +/- 0.0044660 (0.0030) sscu12 = 0.0186980 +/- 0.0093570 (0.0030) * ss013cu11 = 0.0088980 +/- 0.0190580 (0.0030) * sscu13 = 0.0196150 +/- 0.0062940 (0.0030) sscu13012 = 0.0084870 +/- 0.0067030 (0.0030) * sscu11cu11 = 0.0071110 +/- 0.0132390 (0.0030) sscu12cu11 = 0.0111440 +/- 0.0139470 (0.0030)* Def parameters (using "FEFF0: Path 1: [O1_1]"): delr = 0.0041920 So, if someone can please tell me that where I had done wrong or what should I do to make things right I will be very thankful. The Artemis project file is attached herewith. With regards Abhijeet Gaur Research Scholar School of Studies in Physics Vikram University, Ujjain (INDIA)

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Problem opening up project files
by Lisa Van Loon 20 Jan '10

20 Jan '10

Hi, I am using Athena in Windows and I have been having trouble with some project files. I would like to determine the cause: after closing the original file I am unable to reopen the project file again properly. I have attached a file to demonstrate the problem (test1.prj) Saving different versions does not help. When I open the file, no spectrum is displayed. (If I click on a file during the importing then that spectrum will remain displayed). At the bottom the "removing background..." never says "done". It seems like everything is working except the graphing window. I haven't been able to determine what is different about this data from other data that opens without any problem. I would appreciate any help with this. Thanks, Lisa Lisa Van Loon, Ph.D. Industrial Research Scientist lisa.vanloon(a)lightsource.ca

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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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Re: [Ifeffit] consultation
by Jens Kruse 20 Jan '10

20 Jan '10

Hi, I had a similar problem. In my case it was name of the Folder which included the letter "ö". After I changed the name, I had no problem anymore to open the file. In your case I think the "Chinese" letters are the problem. Just change the Folder name, maybe It helps. jens Am 20.01.2010 16:31, schrieb ifeffit-request(a)millenia.cars.aps.anl.gov: > 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. consultation (???) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 20 Jan 2010 23:31:12 +0800 (CST) > From: ???<kangml(a)163.com> > To: "XAFS Analysis using Ifeffit"<ifeffit(a)millenia.cars.aps.anl.gov> > Subject: [Ifeffit] consultation > Message-ID: > <16030032.1199091264001472057.JavaMail.coremail(a)app188.163.com> > Content-Type: text/plain; charset="gbk" > > Dear, I want to consult why I can not open the XANES raw data(like the attached file Na2SeO3.dat) by Athena on my laptop(Windows system). It prompt that : coulldn't read...(See the attached picture. file). Wish to obtain help from you.Thanks very muchBest wishesMingliang >

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(no subject)
by JeongEunSuk 19 Jan '10

19 Jan '10

Hi all I have a question for XANES of Zinc compounds. It is known that the pre-edge for Zinc k-edge generally doesnt exist because 3d state of Zinc atom is occupied. However, I got it from ZnMgO with wurtzite structure. 4 oxygen in first shell and 12 zinc in second shell are located around Absorbing atom, Zinc in wurtzite structure. And then I know that some Mg atoms are replaced on zinc site from EXAFS. I wonder the reason for the appearence of pre-edge. Is it structural problem? or substituted Mg? If anybody know reference papers for pre-edge of zinc K-edge, Please answer me. _________________________________________________________________ 새로운 Windows 7: 여러분에게 맞는 최상의 PC를 찾으세요. 자세히 보기. http://windows.microsoft.com/shop

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