[Ifeffit] new software releases

upgrade to the new version. As always, let us know about any issues, comments, or suggestions that you might have. This version was used successfully at the APS XAFS Summer School last week. While not an exhaustive testing, it seems to be a good release so far. Regards, B -- Bruce Ravel

Re: [Ifeffit] Athena can not open any file

... :) ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A

Re: [Ifeffit] Athena's new copy series functionality

. If you haven't tried this new feature in the latest version of Athena, I suggest you give it a try... Here is the description in the document http://cars9.uchicago.edu/~ravel/software/doc/Athena/html/ui/glist.html see the section on Copying groups B -- Bruce Ravel

Re: [Ifeffit] Artemis bug in new version

parameters from one calculation to the others on a path-by-path basis? -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My

Re: [Ifeffit] Artemis bug in new version

fixed this bug, but it is unlikely that I'll get a chance to make an update to the windows distribution until the week after next, at the earliest. My svn repository now has this bug fixed, though. B -- Bruce Ravel [EMAIL PROTECTED] National Institute

Re: [Ifeffit] Background Subtraction

is that either the pre-edge or post-edge line (or both) is computed wrongly. Here is the documenta page on normalization: http://cars9.uchicago.edu/~ravel/software/doc/Athena/html/bkg/norm.html B -- Bruce Ravel [EMAIL PROTECTED] National Institute

Re: [Ifeffit] Quick question about atoms.exe and .cif files

cell file and apply the shift vector given in the warning message or 2. Edit the cif file to put the Si atom at (1/8,1/8,1/8) B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS

Re: [Ifeffit] lanthanides convergence

some hints on how to obtain convergence faster. B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage:http

Re: [Ifeffit] Problem reproducing spectrum for Ti complex

one or both of the Cl atoms, and by trying a flat molecular geometry rather than the 'umbrella' shape in the attached files, but the spectra attached are the best match to experiment. Any help or suggestions on improvements would be greatly appreciated. -- Bruce Ravel

Re: [Ifeffit] chi(k) Athena bug?

from my many users over the years, my codes would suck a lot more than actually do. So ... thank you for participating constructively in this process. B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods

Re: [Ifeffit] enrgy-axis-expansion

page? B -- Bruce Ravel [EMAIL PROTECTED] 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

Re: [Ifeffit] Bugs in Athena under Windows

-- Bruce Ravel [EMAIL PROTECTED] 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

Re: [Ifeffit] XANES peak fitting

to coerce Athena to do that with XPS data, but I won't make any promises. You could certainly write little Ifeffit scripts to do that sort of peak fitting. B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron

Re: [Ifeffit] [ATOMS] supercell input file

PPS: Do not pay attention to coordinates and distances, these are just test-files! -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY

[Ifeffit] Ifeffit updater and internet proxies

should update. If you have not done so because of a proxy, hopefully that wiki page will help. If your proxy configuration is different, feel free to put that information of that wiki page. Regards, B -- Bruce Ravel [EMAIL PROTECTED] National Institute

Re: [Ifeffit] What confidence limit is implied in the error bars for least-squares fitting in Athena

of the word sigma in this context such that we are talking about different things? B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY

Re: [Ifeffit] Fit XANES spectra using Athena

magical relationship between the six lineshapes you used in the peak fitting and the number of standards you use in the linear combination fitting. It seems to me that you would make yourself a lot less crazy if you didn't cling to this unsubstantiated assumption. B -- Bruce Ravel

Re: [Ifeffit] Problem with new ifeffit version

by typing runner at the DOS prompt and select Athena (or whatever program is causing the problem) 4. do whatever it is that causes Athena (or whatever) to fail 5. let us know what the error messages in the command window say B -- Bruce Ravel [EMAIL

Re: [Ifeffit] Ifeffit Digest, Vol 69, Issue 3

working now. B -- Bruce Ravel [EMAIL PROTECTED] 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

Re: [Ifeffit] Athena problem with integration in Difference of Normalized Spectra (norm(E))

___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Regards, B Bruce Ravel

Re: [Ifeffit] remove text

/HoraeQuestions The short answer your question is that you cannot easily do that. Like most plotting issues, your best bet is to export data and use a proper plotting program to make beautiful, publication-quality plots. B -- Bruce Ravel [EMAIL PROTECTED

Re: [Ifeffit] How to generate ATOMS file

/RunningFeff might help. B -- Bruce Ravel [EMAIL PROTECTED] 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

Re: [Ifeffit] how can i call the function of Athena or Artemis in Python

programs are driving Ifeffit and might help you hack something usable together in python. Another option would be to try to use some of Sam's work in SixPack as the basis for your own python scripts. HTH B -- Bruce Ravel [EMAIL PROTECTED] National

Re: [Ifeffit] how can i call the function of Athena or Artemis in Python

: http://cars9.uchicago.edu/iffwiki/Demeter/Cookbook/06Uranyl Of course, using Demeter means writing perl programs. But that ain't *so* bad, is it...? B -- Bruce Ravel [EMAIL PROTECTED] National Institute of Standards and Technology Synchrotron

[Ifeffit] charge transfer

0.058, -0.073 means. The number indicate the number of electron in atom? If anybody knows it, please answer Charge transfer: iph charge(iph) 00.058 1 -0.073 20.072 -- Bruce Ravel bra...@bnl.gov National

Re: [Ifeffit] charge transfer

On Friday 02 January 2009 09:15:05 am Bruce Ravel wrote:   what does charge transfer mean in FEFF?   I cant understand what the number of charge transfer like 0.058, -0.073   means.  The number indicate the number of electron in atom?     If anybody knows it, please answer     Charge

Re: [Ifeffit] Query regarding error bars

to decide if a a fit is a good fit. If you have additional specific questions, let us know so we can answer them here and update the FAQ as needed. Regards, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods

Re: [Ifeffit] How to keep enot, delr, and ss within acceptable limits

are coming back in an unphysical state, it is almost certain that there is something unphysical about your fitting model. Thus, wonky values for the parameters of a bad fit are full of information that you need to interpret and use to refine your fitting model. Hope that helps, B -- Bruce Ravel

Re: [Ifeffit] SCF and FMS radius

very close to the edge? Good luck, B -- Bruce Ravel bra...@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

Re: [Ifeffit] Trouble with fitting with Arthemis

-- Bruce Ravel bra...@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

Re: [Ifeffit] Cumulant expansion fittings

be statistically supportable. B -- Bruce Ravel bra...@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

Re: [Ifeffit] small-screen version of Athena document

. I'll try to resist reading this while driving! But now Charlotte can read it on the way home ;-) B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2

Re: [Ifeffit] Hard tests failed in fovrg

a bad choice about which electrons to consider as core electrons and which to consider as valence electrons. A bad choice there could confuse teh self-consistency calculation. I think the bottom line is whether the rest of the results besides E0 make physical sense B -- Bruce Ravel

Re: [Ifeffit] too large screen size of the open-file dialog in Athena

kind of font. That is, change 9 to 8, 10 to 9, and so on. 8. Save the file and fire up Athena again. Let me know if that helps. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group

Re: [Ifeffit] Nickel

them together yourself. B -- Bruce Ravel bra...@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

Re: [Ifeffit] Nickel theory

questions and about providing enough information to understand the problem. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My

Re: [Ifeffit] (no subject)

information among the Tutorials and Workshops pages at http://xafs.org. I don't know if you will find precisely what you are looking for, but hopefully you will find enough that is relevant to get you started. Good luck, B -- Bruce Ravel bra...@bnl.gov

Re: [Ifeffit] Figure conversion - color to b/w

there specifically to help the user reconstruct the lineshapes in another plotting program. HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY

Re: [Ifeffit] [Ifeffit-devel] import the chi. file from Artemis to Athena

. Can you please suggest me a solution? B -- Bruce Ravel bra...@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

[Ifeffit] Fwd: Questions about Athena FEFF

reliable to give a good fit? I hope my questions are clear for you. Thanks in advance for your remarks. Best regards Dr. Pascal Yot --- -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] The dependence of So2 on neighboring atoms

___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods

Re: [Ifeffit] Polarization vector in FEFF calculation

the list of atomic coordinates. The value of the POLARIZATION keyword is interpreted in the context of the list of atomic coordinates. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS

Re: [Ifeffit] Xanes peaks fitting with Athena: no data on output

is the fail! All the best, Ismael. -- Bruce Ravel bra...@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

Re: [Ifeffit] Xanes peaks fitting with Athena: no data on output

On Wednesday 10 June 2009 09:47:22 am Bruce Ravel wrote: There is no work around in the current version of Athena -- that button is simply broken.  I am planning to make a new release of my software some time in the next three weeks or so -- before the APS XAFS Summer School next month

Re: [Ifeffit] Xanes peaks fitting with Athena: no data on output

of the functions, I go to Origin and generate the curves. So, I can plot the fitted curves with the experimental data. See? Once again, the mailing list proves to the killer feature of the Ifeffit software! ;-) B -- Bruce Ravel bra...@bnl.gov National

Re: [Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2

. http://leonardo.phys.washington.edu/feff/wiki/index.php?title=EXCHANGE and http://leonardo.phys.washington.edu/feff/wiki/index.php?title=CORRECTIONS B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods

Re: [Ifeffit] how to reduce the core-hole lifetime broadening in feff8.2

CORRECTIONS actually does. B -- Bruce Ravel bra...@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

Re: [Ifeffit] Edge step

in the XANES features, you might consider turning off the flattening display trick that Athena uses for displaying XANES data. HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines

Re: [Ifeffit] Artemis multiple edge refinement problem

prepared in the form of a series of artemis project files is distributed with the software. Look in the examples/Artemis folder in the location where Ifeffit is installed (Windows) or the tarball is unpacked (not Windows). -- Bruce Ravel bra...@bnl.gov

[Ifeffit] Fwd: Follow-up on your Athena issue

-1230 http://ag.udel.edu/SoilChem/landrot.html --- -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2

Re: [Ifeffit] problem with Athena's E0 !

the edge which is not my case. Thanks so much for your time, Bahia -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My

[Ifeffit] new release of my software

. Regards, B -- Bruce Ravel bra...@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

Re: [Ifeffit] Athena XFit report, possible (minor) bug.

to manually fix that misspelling for all you Co data. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage

Re: [Ifeffit] Error in paths with ifeffit

than ifeffit-ow...@... Mail to ifeffit-owner goes just to Matt and I rather than to the whole list. -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building

Re: [Ifeffit] atoms location in feff.inp

-- Bruce Ravel bra...@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

Re: [Ifeffit] Sorry

, and background removal that a human operator would not choose. So feel free to poke at all those numbers on the left side of the Athena window -- that's what they are there for ;-) B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] Is it legitimate to merge transmission data with fluorescence data?

a measurement theory perspective, analogous. Assuming your data do not suffer from the problems mentioned above, it seems all right to me. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS

Re: [Ifeffit] Installation of FEFF8 on IFEFFIT

the Atoms-feff_version parameter to 8. Then change the Feff-feff_executable parameter to the fully qualified location of the Feff8 executable. That is, you must type in something like C:\Software\Feff8\feff8.exe. To the best of my knowledge, that will work correctly. B -- Bruce Ravel

Re: [Ifeffit] Vanadium pre edge peak contributes to K-space?

. If Richard's good advice didn't help, then you need to be more explicit about what the problem is, perhaps by posting a small athena project file that demonstrates the problem. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] a question

. There is a lot of material available at http://xafs.org to help you get started understanding your XAS measurements. I think you would benefit by poking around there. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] Athena error reading file

on the line of dashes to mark the boundary between header and data, an XDAC comment consisting only of numeric characters will always trigger this problem. Fortunately, the solution is trivial: be more verbose in the XDAC comment box. HTH, B -- Bruce Ravel

Re: [Ifeffit] Linear combination fitting reports

hundreds of times and never noticed that. Thank you for pointing it out -- it will be fixed in the next release. B PS: It would have been helpful had you included the screenshot in the first email... ;-) -- Bruce Ravel bra...@bnl.gov National Institute

Re: [Ifeffit] 8 coordination crystal

* 6-coordinate crystal * octahedral molecule * tetrahedral molecule * square-planar molecule   CeO2 has coordination no of 8, so what is the meaning of that Also is there any manual or working examples for Artemis Thnaks Mohamed -- Bruce Ravel

[Ifeffit] Fwd: Athena troubleshooting

--- -- Bruce Ravel bra...@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

Re: [Ifeffit] Fwd: Athena troubleshooting

On Wednesday 07 October 2009 05:14:44 pm Bruce Ravel wrote: I have run 14 samples (each 4 times) on the beamline, and I'm looking for a shift in the oxidation state of Uranium (4+ to 6+).  I'm not sure and can't seem to find any literature on how significant the shift must be to prove anything

Re: [Ifeffit] First shell resolution

. Regards, euG See pages 23 and following from this lecture by Daniel Haskel: http://xafs.org/Workshops/APS2008?action=AttachFiledo=gettarget=Haskel_Other.pdf B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron

[Ifeffit] Fwd: Mg k-edge and Athena Questions

in this year's proposal, we thought you might have a much better idea of which beamline to turn for this hard range around 1300eV. Many thanks again, Fang --- -- Bruce Ravel bra...@bnl.gov National

Re: [Ifeffit] Fwd: Mg k-edge and Athena Questions

On Thursday 08 October 2009 08:47:11 am Bruce Ravel wrote: This is Fang from Yale University, Pfefferle and Haller's group. Besides our research on Co/Pt on your X23A2 and X18B, I am mainly involved in the Mg and B edge measurement. I heard from Paul that you also have anongoing project on Mg

Re: [Ifeffit] Cu oxide fitting result

://millenia.cars.aps.anl.gov/pipermail/ifeffit/2008-July/003641.html and http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2009-January/004012.html B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group

Re: [Ifeffit] Athena Artemis crashing

experienced this problem? In addition, the autosave does not recover the lost work after crashing? Is question 3 at this FAQ page relevant? http://cars9.uchicago.edu/ifeffit/FAQ/DataPlotting B -- Bruce Ravel bra...@bnl.gov National Institute

Re: [Ifeffit] Athena Artemis crashing

will look into it. B -- Bruce Ravel bra...@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

Re: [Ifeffit] Xanes with Athena?

. B -- Bruce Ravel bra...@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

Re: [Ifeffit] suppressing the stdout of FEFF

? Jochen, If you are using a program of your own to run Feff8, you would probably be best off managing Feff's output via that program. You'll find that Feff itself provides very little in terms of file management. B -- Bruce Ravel bra...@bnl.gov National

Re: [Ifeffit] Normalization in Athena

___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Bruce

Re: [Ifeffit] suppressing the stdout of FEFF

Artemis and Demeter, I have the software generate a new folder for each Feff calculation and keep track of things appropriately. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A

Re: [Ifeffit] Installing Athena on a Mac

Science and Engineering Northwestern University Cook Hall 3021 Office: 847 491 3584 Mobile: 330 603 8608 mi...@u.northwestern.edu -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS

Re: [Ifeffit] Reference materials for Ca Cd for XANES

. Thanking you in advance Is there a subtlety to your problem that you are not explaining? CdO and CaO are the common forms of the oxides of cadmium and calcium and both are divalent. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] Question about ATHENA software

difference. I strongly apologize bothering you with such a basic question. Many thanks in advance. Best regards, Claudia Fleischmann -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS

[Ifeffit] PIPs detectors

(and the requisite type of BNC connector that I need)? I would greatly appreciate any direction that you could offer. Thanks, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A

Re: [Ifeffit] Athena User Guide—FCFS

/listinfo/ifeffit -- Bruce Ravel bra...@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

Re: [Ifeffit] Why I can't install ifeffit?

am particularly curious to know if a window pops up when you click on GrWnd.exe, as Matt suggested? B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building

Re: [Ifeffit] Bug in Athena?

@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Bruce Ravel --- bra...@bnl.gov National Institute of Standards and Technology Synchrotron Measurements Group, Beamlines X23A2, X24A, U7A Building 535A, Room M7 Brookhaven National

Re: [Ifeffit] Bug in Athena?

the reference scans merged as well as the sample scans, in order to get a clean measure of chemical shift. Ummm... ok could be seen as an odd thing to do... B -- Bruce Ravel --- bra...@bnl.gov National Institute of Standards and Technology Synchrotron

Re: [Ifeffit] Request a .cif file for alpha beta Nickel hydroxide

the second question at http://cars9.uchicago.edu/ifeffit/FAQ/RunningFeff B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My

Re: [Ifeffit] Athena linux version problem

hurdle. B -- Bruce Ravel bra...@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

Re: [Ifeffit] spline clamps in ifeffit code

the clamp group, you will be able to assign new values to the 5 named clamp strengths. HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY

Re: [Ifeffit] Silver oxide Standard

On Monday 21 December 2009, 03:54:46 pm, Chris Patridge wrote: 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. Chris, This project file has (among other things) the merge

Re: [Ifeffit] installing IFeffit, etc on user accounts

On Monday 21 December 2009, 05:39:32 pm, Elizabeth J. Biddinger wrote: 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

Re: [Ifeffit] Mackale's table

On Thursday 31 December 2009, 11:52:37 pm, Neetu parsai wrote: Happy New year to all I am in need of Mackale's table for backscattering amplitude and phase shift that I want to calculate EXAFS function for some transition metals. Well ... http://www.quotationspage.com/quote/26032.html

Re: [Ifeffit] Fitting using Experimental standard

On Monday 04 January 2010, 09:15:37 am, abhijeet gaur wrote: Generally the fitting is done using theoretical standards. For that in Artemis, we give input as crystallographic data. But If we want to use an experimental standard instead of theoretical standard, how that can be done. Is it

Re: [Ifeffit] Fitting using Experimental standard

/ifeffit -- Bruce Ravel bra...@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

[Ifeffit] Fwd: regading feff input file of sorbed species

Hi everyone, Below is an email I received this morning. I thought I would pass it along to the mailing list. I know that some of you work on projects very close to this fellow's question and thought he would benefit by the wisdom of the masses. Hi Sumit, A few pointers: * There is a

Re: [Ifeffit] Problem opening up project files

lisa.vanl...@lightsource.ca -- Bruce Ravel --- bra...@bnl.gov National Institute of Standards and Technology Synchrotron Measurements Group, Beamlines X23A2, X24A, U7A Building 535A, Room M7 Brookhaven National Laboratory Upton NY, 11973, USA My homepage

Re: [Ifeffit] consultation

the second column as the energy column when you first import one of these files. Good luck. -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton

Re: [Ifeffit] Problem opening up project files

programs are any good at all is a tribute to the kidn and helpful feedback that I have received from all the users. Regards, B P.S. While I am at it, I'll look into the issue of non-ascii characters in filenames that Mingliang asked about earlier today. -- Bruce Ravel

Re: [Ifeffit] Problem opening up project files

. B -- Bruce Ravel bra...@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

Re: [Ifeffit] consultation

online for freshman? Thanks! This question is also answered at that web page. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973

Re: [Ifeffit] ATHENA on Ubuntu

selected the EXAFS data file in athena data column, i could not find the OK button in the lower left part of the window so i could not continue to work. Does anybody have solution for this ? Thank you very much Andi Villigen -- Bruce Ravel bra

Re: [Ifeffit] Is possible to shift the spectra in athena?

measured at another facility. is it possible to do this in athena? Thanks! Best regards Mingliang I think you want to set the value of the eshift parameter, which is just below the filename at the top of the main Athena window. B -- Bruce Ravel bra

Re: [Ifeffit] standard values

knowledge. That said, sigma^2 values tend to be of the order of 10^(-3) to 10^(-2) in units of Angstrom^2 as used in the formulation of the EXAFS equation implemented in Ifeffit. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

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