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

E0 problems
by Chris Patridge 17 Nov '09

17 Nov '09

Hello, I am having some trouble with a first shell fitting. I have good reason to believe that the compound crystal structure should be quite similar to the starting input structure from other reliable analysis. The closest neighbor paths V-O is 1.61 A away so I set R to 0.8 as a start. I summed what I think are pertinent paths together and tried to fit these paths to a first shell. The bmp file attached contains the fit, summed paths, and the data all in R-space. The fit comes away with a small amplitude, huge E0 of close to -21 eV and negative delr & ss. I have included the artemis project. Is the k-space any indication that the data is too noisy? Any suggestions and or questions would be greatly appreciated. Thank you all, Chris Patridge UB Graduate Student Department of Chemistry Cell: 315-529-0501

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SO2 parameter for Cu2O
by abhijeet gaur 12 Nov '09

12 Nov '09

Hi all, I am fitting Cu2O EXAFS data taken at SSRL using the Artemis. But there is a problem with fitting results that SO2 parameter is coming very low around 0.50. I had also taken Cu2O data from different data bases to check whether theere some problem with my data, but after fitting them, the same problem of low SO2 is coming. In some research papers given SO2 parameter for Cu2O equal to 0.82. But I am unable to get that why all the Cu2O data giving low value of SO2. Is there any other fitting procedure to fit the compounds like Cu2O ?????? With thanks Abhijeet Gaur

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Re: [Ifeffit] Question about ATHENA software
by Bruce Ravel 12 Nov '09

12 Nov '09

Claudia, The implementation of the XANES self-absorption corrections follows the thing that Daniel Haskel wrote up here: http://www.aps.anl.gov/xfd/people/haskel/fluo.html The algorithm used is explained on pages 5-9 of the postscript file on that web page. The angles are defined relative to the surface, not the surface normal. HTH, B PS: You should consider joining the Ifeffit mailing list: (http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit) It is a very useful resource for siftware and for XAS in general. On Saturday 07 November 2009 02:22:45 pm you wrote: > Dear Bruce Ravel, > > I am a PhD student currently working with the ATHENA software. I came > across a question which I could not answer even after searching the > internet for hours. I hope you might have the time to briefly answer my > question. > > The self-absorption dialog requires the incoming (angle in) and the > outgoing angle (angle out) as an input. My basic question is: Are these > angles referenced to the sample surface or to the normal of the surface? > I would not worry about that if I had measured in 45deg geometry (as in > your tutorial example). However, I did not and therefore it makes a > large difference. > > I strongly apologize bothering you with such a basic question. > Many thanks in advance. > Best regards, > Claudia Fleischmann -- 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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SO2 parameter problem
by abhijeet gaur 12 Nov '09

12 Nov '09

Hi all, I am fitting CuO2 EXAFS data taken at SSRL using the Artemis. But there is a problem with fitting results that SO2 parameter is coming very low around 0.50. I had also taken CuO2 data from different data bases to check whether theere some problem with my data, but after fitting them, the same problem of low SO2 is coming. In some research papers given SO2 parameter for CuO2 equal to 0.82. But I am unable to get that why all the CuO2 data giving low value of SO2. Is there any other fitting procedure to fit the compounds like CuO2 ?????? With thanks Abhijeet Gaur

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Why I can't install ifeffit?
by 康明亮 10 Nov '09

10 Nov '09

Dear, I don't konw why I can't intall ifeffit. As I run the Anthena programm, it prompted me the following message: Cannot execute grwnd.exe to open the graphics window. I don;t know how to resolve this problem. wish to obtain guidance. Thank you. Best regards Mingliang

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consultation
by 康明亮 09 Nov '09

09 Nov '09

Dear, I have encountered a problem when using IFEFFIT. As I double click the Athena icon on the desktop, it prompted the following concent: Cannot execute grwnd.exe to open the graphics window. How to resolve this problem? Thank you! Best regards Mingliang

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Athena User Guide—FCFS
by Julie Olmsted Cross 09 Nov '09

09 Nov '09

I have ten copies of the Athena User Guide leftover from the 2009 APS XAFS School. If you want one, send me your mailing address. First come, first served. ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ Dr. Julie O. Cross User Technical Interface APS Engineering Support Division Argonne National Laboratory 9700 South Cass Ave., Bldg. 401/B4204 Argonne IL 60439-4801 tel: 630 252 0592 fax: 630 252 7187 ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~

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Re: [Ifeffit] Ifeffit Digest, Vol 81, Issue 7
by Khalid, Syed 09 Nov '09

09 Nov '09

The (Passivated Implanted Planar Silicon) PIPS detector that we purchase for our beamlines is model: PD 3000-55-300-AB AB is for BNC connector, if not specified they mail it with an AM (Axial Microdot) connector. PD is partially Depleted, 3000 mm square is the area of the detector. 55 KeV (FWHM) is the energy resolution for alpha particles, and 300 is the thickness of Si in microns. Syed Khalid -----Original Message----- From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of ifeffit-request(a)millenia.cars.aps.anl.gov Sent: Monday, November 09, 2009 1:00 PM To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 81, Issue 7 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: python 2.6 wrapper (Carmelo Prestipino) 2. consultation (???) 3. Re: Question about ATHENA software (Bruce Ravel) 4. PIPs detectors (Bruce Ravel) 5. Re: PIPs detectors (Jeff Terry) ---------------------------------------------------------------------- Message: 1 Date: Mon, 09 Nov 2009 14:19:42 +0100 From: Carmelo Prestipino <carmelo.prestipino(a)esrf.fr> To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] python 2.6 wrapper Message-ID: <20091109141942.0tdnvgz3ogcw0ckw(a)160.103.2.152> Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; format="flowed" Dear Matt and Carlo I was speaking about windows, sorry for the imprecision. I tested today the file sent by Matt, on my computer all seems to work fine with Python 2.6. Cheers Carmelo Quoting 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. python 2.6 wrapper (Carmelo Prestipino) > 2. Re: python 2.6 wrapper (Carlo Segre) > 3. Re: python 2.6 wrapper (Matt Newville) > 4. Re: Ifeffit (Matt Newville) > 5. Re: Ifeffit (Cl?ment Levard) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 06 Nov 2009 10:50:25 +0100 > From: Carmelo Prestipino <carmelo.prestipino(a)esrf.fr> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] python 2.6 wrapper > Message-ID: <20091106105025.gifreaxeogoc440g(a)160.103.2.152> > Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; > format="flowed" > > Dear All > I upgraded my my python version on 2.6, I was wondering if is it > available a new Ifeffit wrapper for this version? > Best regards > Carmelo > > -- > > --------------------------------------- > Dr. Carmelo Prestipino > European Synchrotron Radiation Facility > BP220, 38043 Grenoble Cedex, > FRANCE > Tel: +33 (0)4 38 88 19 29 > --------------------------------------- > > > ------------------------------ > > Message: 2 > Date: Fri, 6 Nov 2009 07:46:55 -0600 (CST) > From: Carlo Segre <segre(a)iit.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] python 2.6 wrapper > Message-ID: <alpine.DEB.1.10.0911060746230.3348(a)arsenide.iit.edu> > Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed > > > What is your operating system? The gifeffit progrm should work fine with > most versions of python. > > Carlo > > > On Fri, 6 Nov 2009, Carmelo Prestipino wrote: > >> Dear All >> I upgraded my my python version on 2.6, I was wondering if is it available a >> new Ifeffit wrapper for this version? >> Best regards >> Carmelo >> >> > > -- > 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 > > > ------------------------------ > > Message: 3 > Date: Fri, 6 Nov 2009 10:46:46 -0600 > From: Matt Newville <newville(a)cars.uchicago.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] python 2.6 wrapper > Message-ID: > <b8522e3d0911060846t6f7bea35j83dbff53c6c580d2(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Carmelo, Carlo, > > As Carlo says, on linux there should be no problem with the older > build system.... I'm using python2.6 and Ifeffit on linux. > > So, I'll assume you're asking about Windows. I do not yet have an > executable installer for Python2.6 on Windows. But, if you're brave, > I have something for you to try. In fact, just this past week, as > part of a move to a new Windows build system (see > http://cars9.uchicago.edu/ifeffit/MingwBuild) I've moved from using a > C extension for Python to using Python's ctypes library. This means > that the Ifeffit-Python interface is in pure Python and uses the DLL > directly, which is much better than the previous situation. > > I've tested this with python 2.6 and it works for me on both Windows > and linux, with very minor differences between them. The result > (Ifefffit.py attached) should be viewed as "beta testing" stage -- If > you try it out, I'd love to hear about any issues you have with it. I > don't have a nice installer for this, but you should be able to put > this in any folder that Python will find it. If you don't have > Ifeffit installed to C:\Program Files\Ifeffit, you may need to alter > the top of the script (the set_environ function). > > Cheers, > > --Matt > > > > > On Fri, Nov 6, 2009 at 3:50 AM, Carmelo Prestipino > <carmelo.prestipino(a)esrf.fr> wrote: >> Dear All >> I upgraded my my python version on 2.6, I was wondering if is it available a >> new Ifeffit wrapper for this version? >> Best regards >> Carmelo >> >> -- >> >> --------------------------------------- >> Dr. Carmelo Prestipino >> European Synchrotron Radiation Facility >> BP220, 38043 Grenoble Cedex, >> FRANCE >> Tel: +33 (0)4 38 88 19 29 >> --------------------------------------- >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >

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PIPs detectors
by Bruce Ravel 09 Nov '09

09 Nov '09

Hi all, A colleague at a company that, for some reason, blocks mail from this mailing list asked me a question the other day that I don't have an immediate answer for. I told him I would pass his question along to the list and forward him any answers. He asks: I've looked over the Canberra website, but I am a little confused about what specifications I should go for. To be absolutely honest, I have never seen a PIPs detector/chip in person as they have always has the Al/Mylar film attached. Would you happen to have a specifications/model list for one of these devices (and the requisite type of BNC connector that I need)? I would greatly appreciate any direction that you could offer. Thanks, 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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Re: [Ifeffit] python 2.6 wrapper
by Carmelo Prestipino 09 Nov '09

09 Nov '09

Dear Matt and Carlo I was speaking about windows, sorry for the imprecision. I tested today the file sent by Matt, on my computer all seems to work fine with Python 2.6. Cheers Carmelo Quoting 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. python 2.6 wrapper (Carmelo Prestipino) > 2. Re: python 2.6 wrapper (Carlo Segre) > 3. Re: python 2.6 wrapper (Matt Newville) > 4. Re: Ifeffit (Matt Newville) > 5. Re: Ifeffit (Cl?ment Levard) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 06 Nov 2009 10:50:25 +0100 > From: Carmelo Prestipino <carmelo.prestipino(a)esrf.fr> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] python 2.6 wrapper > Message-ID: <20091106105025.gifreaxeogoc440g(a)160.103.2.152> > Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; > format="flowed" > > Dear All > I upgraded my my python version on 2.6, I was wondering if is it > available a new Ifeffit wrapper for this version? > Best regards > Carmelo > > -- > > --------------------------------------- > Dr. Carmelo Prestipino > European Synchrotron Radiation Facility > BP220, 38043 Grenoble Cedex, > FRANCE > Tel: +33 (0)4 38 88 19 29 > --------------------------------------- > > > ------------------------------ > > Message: 2 > Date: Fri, 6 Nov 2009 07:46:55 -0600 (CST) > From: Carlo Segre <segre(a)iit.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] python 2.6 wrapper > Message-ID: <alpine.DEB.1.10.0911060746230.3348(a)arsenide.iit.edu> > Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed > > > What is your operating system? The gifeffit progrm should work fine with > most versions of python. > > Carlo > > > On Fri, 6 Nov 2009, Carmelo Prestipino wrote: > >> Dear All >> I upgraded my my python version on 2.6, I was wondering if is it available a >> new Ifeffit wrapper for this version? >> Best regards >> Carmelo >> >> > > -- > 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 > > > ------------------------------ > > Message: 3 > Date: Fri, 6 Nov 2009 10:46:46 -0600 > From: Matt Newville <newville(a)cars.uchicago.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] python 2.6 wrapper > Message-ID: > <b8522e3d0911060846t6f7bea35j83dbff53c6c580d2(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Carmelo, Carlo, > > As Carlo says, on linux there should be no problem with the older > build system.... I'm using python2.6 and Ifeffit on linux. > > So, I'll assume you're asking about Windows. I do not yet have an > executable installer for Python2.6 on Windows. But, if you're brave, > I have something for you to try. In fact, just this past week, as > part of a move to a new Windows build system (see > http://cars9.uchicago.edu/ifeffit/MingwBuild) I've moved from using a > C extension for Python to using Python's ctypes library. This means > that the Ifeffit-Python interface is in pure Python and uses the DLL > directly, which is much better than the previous situation. > > I've tested this with python 2.6 and it works for me on both Windows > and linux, with very minor differences between them. The result > (Ifefffit.py attached) should be viewed as "beta testing" stage -- If > you try it out, I'd love to hear about any issues you have with it. I > don't have a nice installer for this, but you should be able to put > this in any folder that Python will find it. If you don't have > Ifeffit installed to C:\Program Files\Ifeffit, you may need to alter > the top of the script (the set_environ function). > > Cheers, > > --Matt > > > > > On Fri, Nov 6, 2009 at 3:50 AM, Carmelo Prestipino > <carmelo.prestipino(a)esrf.fr> wrote: >> Dear All >> I upgraded my my python version on 2.6, I was wondering if is it available a >> new Ifeffit wrapper for this version? >> Best regards >> Carmelo >> >> -- >> >> --------------------------------------- >> Dr. Carmelo Prestipino >> European Synchrotron Radiation Facility >> BP220, 38043 Grenoble Cedex, >> FRANCE >> Tel: +33 (0)4 38 88 19 29 >> --------------------------------------- >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit(a)millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> >> >

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