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

Re: [Ifeffit] Mac installer for 10.4 with horae-048
by Matt Newville 01 Dec '05

01 Dec '05

Stefano, Hmmmm. What I would do next is to trash /Library/Perl. This is where much of where horae goes, though it should be overwritten on installation too. Trashing /Library/Perl is a little riskier than trashing /Applications/Ifeffit because it's possible that some other perl application is using that folder too. If you think you're not using any other perl programs, you probably are not. In any case, you could do sudo mv /Library/Perl /Library/Perl_SAVE You can also look at the list of Perl files installed (at least as of horae-0.48 on Mac 10.3) at http://cars9.uchicago.edu/ifeffit/src/MacOSX/PerlFiles This says 'Perl/5.8.1' everywhere and I believe 10.4 uses a more recent version of perl, but this list be helpful in looking for folders not installed by Ifeffit. After doing this, you can retry the installation. If that's too scary (or doesn't work ;>) I hope Paul has some insight! --Matt

3 5

Re: [Ifeffit] Mac installer for 10.4 with horae-048
by Matt Newville 30 Nov '05

30 Nov '05

Stefano, Can you completely delete /Application/Ifeffit and reinstall? I know it sounds brutal, but it;s not going to do anything bad to your System.... --Matt

2 2

Mac installer for 10.4 with horae-048
by Paul Fons 30 Nov '05

30 Nov '05

As the unix auto-update script has been broken due to changes by sourceforge, I have updated the ifeffit installer on sourceforge for Mac OS 10.4 to include the latest revisions (bug fixes to athena). Paul

2 1

Re: Horae-058
by Bruce Ravel 23 Nov '05

23 Nov '05

On Wednesday 23 November 2005 07:35, you wrote: > Greetings from SPring-8 (getting chilly here, but no snow yet). We've got you beat here at the APS. There is snow on the ground right now! The Australian and Brazilian synchrotrons are looking awfully good right now.... > I tried downloading the latest tarball using your horae-update > script. It download a file with the right name, but that only > contains what appear to be sourceforge related web links. In other > words horae_update is broken (much like what happened before). SourceForge redesigned their web site. The screen scraper in horae_update no longer works. I am hesitant to just fix the current code -- it was a hand-built solution and, obviously, much too fragile. A better solution would require either using better html parsing tools from CPAN or figuring out how to gather information from SourceForge without needing to scrape their web pages. I am open to any suggestions or offers of coding help. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

4 4

that didn't take long...
by Bruce Ravel 23 Nov '05

23 Nov '05

Hi folks, I just discovered a fairly serious bug in the version of Athena I just released yesterday. The auto-alignment function is broken. Fortunately, alignment can still be done by hand using the +/- buttons in the alignment dialog. The fix is simple, but I won't be able to post updates until next week. (It's a holiday tomorrow here in the States and I am leaving for the airport soon.) My apologies to anyone who needs that feature in the next few days and especially to Paul who just did a bnch of work to make and post a new OSX installer. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

1 0

new tarball and windows updater
by Bruce Ravel 22 Nov '05

22 Nov '05

Hi folks, Today I made a release that is mostly for maintenence purposes on Athena. Most of the changes have to do with various bug fixes and small UI improvements. Artemis and Hephaestus are unchanged. The new tarball, version 58, is at my site and at SourceForge. I also built a new windows executable and an updater. See http://cars9.uchicago.edu/iffwiki/HoraeVersion058 for details about the release. Thanks to Shelly, Adam, and Norbert for their feedback on this release. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

1 0

graphics help
by crojasa＠unmsm.edu.pe 21 Nov '05

21 Nov '05

Hello help in: why in my graphics the fit curve is more differents that data curve?. If that fit is ok, but the fit curve(red) is very underneath that data curve(blue). Some idea Chachi P.D my graphis is in attachment -- Chachi Rojas GMC FCF UNMSM Tel.Mo.:97499347 email:crojasa@unmsm.edu.pe

2 1

RE: [Ifeffit] NiO data
by Kelly, Shelly D. 15 Nov '05

15 Nov '05

Hey Scott, Well, I botched the MRCAT part of the acknowledgement. Please use this one instead. Use of the APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. W-31-109-ENG-38. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Thanks Shelly Shelly Kelly Bldg 203 RM E113 Skelly(a)anl.gov Argonne National Laboratory 630-252-7376 9700 S Cass Ave www.mesg.anl.gov Argonne, IL 60439 > -----Original Message----- > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit- > bounces(a)millenia.cars.aps.anl.gov] On Behalf Of Scott Calvin > Sent: Monday, November 14, 2005 10:03 PM > To: XAFS Analysis using Ifeffit > Cc: SCalvin(a)slc.edu > Subject: RE: [Ifeffit] NiO data > > Thanks Shelly, Matt, and Jeremy! > > I'm using Shelly's data, since I need EXAFS. I've instructed the lead > author to include in the caption, > > "NiO data collected by S. Kelly at the MRCAT beamline of the APS." > > Good? > > --Scott Calvin > Sarah Lawrence College > > >Hi Scott, > > > >Here is some NiO data. > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

1 0

RE: [Ifeffit] NiO data
by Kelly, Shelly D. 15 Nov '05

15 Nov '05

Hi Scott, I'm glad to help. Did any of the other data come from the APS? I would be great to add an acknowledgement to the APS/MRCAT funding, if you can swing it. Something like: Use of the APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. W-31-109-ENG-38. The Materials Research Collaborative Access Team is supported under grant number DE-FG02-04ER46106. Thanks Shelly Shelly Kelly Bldg 203 RM E113 Skelly(a)anl.gov Argonne National Laboratory 630-252-7376 9700 S Cass Ave www.mesg.anl.gov Argonne, IL 60439 > -----Original Message----- > From: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit- > bounces(a)millenia.cars.aps.anl.gov] On Behalf Of Scott Calvin > Sent: Monday, November 14, 2005 10:03 PM > To: XAFS Analysis using Ifeffit > Cc: SCalvin(a)slc.edu > Subject: RE: [Ifeffit] NiO data > > Thanks Shelly, Matt, and Jeremy! > > I'm using Shelly's data, since I need EXAFS. I've instructed the lead > author to include in the caption, > > "NiO data collected by S. Kelly at the MRCAT beamline of the APS." > > Good? > > --Scott Calvin > Sarah Lawrence College > > >Hi Scott, > > > >Here is some NiO data. > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

1 0

RE: [Ifeffit] NiO data
by Kelly, Shelly D. 14 Nov '05

14 Nov '05

Hi Scott, Here is some NiO data. There are several columns in the data files. They represent energy, I0, It, If, Iref. They were collected from MRCAT at the APS. Here are some beamline parameters. ID tapered 4 mm to decrease the change in x-ray energy over the scanned range. 1st harmonic of ID line used. double crystal Si(111) mono. Ph mirror to remove harmonics 0.7x0.7 mm slits to define x-ray cross-section 20/80 N2/H3 in Io, 100% N2 for It. quick scanning mode Ni filter of 6 absorption lengths was used in reference pin diode detector infront of I0. Reference signal is taken by log(Io/Iref). Cross and Frenkel have the reference for this. As far as I can tell, we haven't published this reference before. The log book mentions that the NiO particle size is less than 10 microns. I don't think that we ran XRD on it. The sample came from Aldrich (99% purity). Shelly -----Original Message----- From: ifeffit-bounces(a)millenia.cars.aps.anl.gov on behalf of Scott Calvin Sent: Sun 11/13/2005 5:50 PM To: XAFS Analysis using Ifeffit Cc: SCalvin(a)slc.edu Subject: [Ifeffit] NiO data Hi all, Anyone out there have spectra for a NiO standard? I bet one of you does, since there was a request for a NiO atoms.inp file a few months ago. I have a referee who wants to see that our data that matches Ni metal very well doesn't also match NiO well (I'm presuming this referee is not someone too familiar with EXAFS!). So anyway, also let me know how you'd like me to credit the data (e.g. a footnote listing you and the beamline it was collected on). Thanks! --Scott Calvin Sarah Lawrence College P.S. And no, Matt's database doesn't have NiO, and yes, the Lytle database does...but the Lytle data is not thoroughly documented and so I avoid it when possible. _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

3 2