Re: [Ifeffit] Self absorption Correction

Farzana, I'm copying the IFEFFIT mail list, they may have the information buried in the archives somewhere. That link points to Grant Bunker's webpage containing his XAFS tutorials and it will not open for me at the moment either. However, there are several very good books that have come out late

Re: [Ifeffit] plots from athena

I thought PGPlot was the graphics part of the IFEFFIT suite, I could have been wrong. I was referring to the window where the plots are shown when Athena and/or Artemis is used. If I'm understanding you correctly, I think it can be done by simply clicking the checkbox beside the file if in Athena

Re: [Ifeffit] Exporting derivative data

Paul, If you're just wanting to adjust things like fonts and line sizes on the plot for publication, then you have the option to save the plot as a metafile from the PGPlot window and import it into PowerPoint. Then convert the metafile into a drawing object with the "ungroup" feature. From this

Re: [Ifeffit] consultation

Mingliang, For more information on self-absorption, read the links found here: http://www.xafs.org/Experiment/OverAbsorption This includes a link to a discussion on the mail list about self-absorption and how to understand it. -Richard 2010/1/29 Welter, Edmund > Dear Mingliang, > > Thanks for

Re: [Ifeffit] (no subject)

Here's the Penner-Hahn webpage, there is Zn info here, plus contact info and publication lists: http://www.umich.edu/~jphgroup/ -Richard 2010/1/19 JeongEunSuk > Thank Anatoly. > Do you know J.penner-Hahn's e-mail or exact reference name? > I cant find his paper in search site. > > --

Re: [Ifeffit] Reply

name contain characters not compatible with IFEFFIT.* > Here, I have snapped each step and attached in the enclosure. Hope I have > answer these questions. > Thank you! > Best regards > Mingliang > > > 在2009-11-12，"Richard Mayes" 写道： > > Are you trying to open

Re: [Ifeffit] Reply

y clicking on "runner.exe" in the Ifeffit bin folder. A > simple selection box should pop up and you should be able to choose > Athena, Artemis, etc. >- Trying clicking on GrWnd.exe in the Ifeffit bin folder. A > window should pop up. >- The installation w

Re: [Ifeffit] Reply

Mingliang, There's nothing wrong with the data (I opened one of the files), so at this point I suggest you reinstall IFEFFIT, or answer Matt's questions in the hope of understanding and solving your problem (without the re-install). -Richard On Wed, Nov 11, 2009 at 8:22 PM, Matt Newville w

Re: [Ifeffit] Plotting Athena mu(E) with pre / post edge lines

Joseph, See the FAQ here (scroll down to "How do I make publication quality plots..."): http://cars9.uchicago.edu/ifeffit/FAQ/HoraeQuestions#head-2536b76fd9a517c8cff6b367d89e9fd03cbf5999 -Rich On Tue, Oct 27, 2009 at 6:33 PM, Joseph Washington wrote: > Hello all, > How do I export absorption d

Re: [Ifeffit] Rbkg value

Chris, If you look at Shelly Kelly's tutorial on xafs.org, she suggests Rbkg be "about half the R value for the first peak." This setting worked well in my case with vanadyl-silicates where my first feature was around 1.6 A. Her tutorial also discusses setting Rbkg and what to look for when doing

Re: [Ifeffit] 8 coordination crystal

Mohamed, Are you trying to use the simple first shell analysis or is this from the feff calculation? (an example project file to look at would be helpful) You can find tutorials at http://www.xafs.org/Tutorialsthat will guide you through both Athena and Artemis. -

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

Chris, You'll answer this question when you post a project file; but since you mention the pre-edge feature, have you reset the Eo to approx. halfway up the absorption edge instead of on the pre-edge feature itself? -Richard On Tue, Aug 25, 2009 at 11:10 AM, Carlo Segre wrote: > > Hi Chris: >

Re: [Ifeffit] Pellet sample preparation

Dominik, Boron nitride has been used as a diluent. You might check Polymer Source (www.polymersource.com) for the polyethylene you're looking for, however they seem to be quite expensive. ChemPlex ( www.chemplex.com) also has binders and specializes in products for XRF analysis. HTH, -Richard

Re: [Ifeffit] Kapton in glove box

Todd, Are you working with oxygen sensitive or moisture sensitive samples (or both)? If it's just moisture sensitive, then you can use regular 2-sided tape from your local office supply and polypropylene film to seal samples in polycarbonate or aluminum holders (or even pellets if you're lucky en

Re: [Ifeffit] Sorry

Chris, In cases where intense pre-edge features are observed, such as the one you attached, you should manually set the Eo and not accept the Athena defaults. I usually start with half-way up the absorption edge (you can look at the derivative and move the Eo value to the maximum in the derivativ

Re: [Ifeffit] residual saving

Guvenc, There are 2 ways that I know of: the first is "save residual" under the File menu. You may have to save the chi(k) and the residuals separately (I have never done this so I'm not sure on the exact procedure) and then overlay the plots in some graphing software similar to Excel. The seco

Re: [Ifeffit] Transferability of S02

re > appropriate; this may be a thread that people will want to find in searches > later. Sorry for the double post! > > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > -

Re: [Ifeffit] (no subject)

Anther question that I have how can I get to the past discussions in the > forum- is there any database for questions and answers that I can learn on > the analysis of EXAFS data? > The archive is found here: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/ It can be searched using the Advanc

Re: [Ifeffit] Self absorption Correction

Jens, Since no one has answered yet, I'll chime in. First let me direct you to a discussion of self-absorption and other sample-related distortions: http://www.xafs.org/Experiment/OverAbsorption (this is a link from the tutorials page of www.xafs.org). As for your questions: I think that you s

Re: [Ifeffit] Trouble with fitting with Artemis

Juraci, Can you please attach a project file so we can look at it and try to find the problem. My first guess would be the parameters are not defined in the "guess,def,set" page like they are in the path list but without seeing the project file, it's hard to be specific. -Rich On Wed, Jan 28, 2

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

XAFS on a Blackberry or iPhone...then you can market it as a brainteaser game and make a little extra money. -Rich On Mon, Jan 26, 2009 at 1:35 PM, Frenkel, Anatoly wrote: > Bruce and Matt: > > When Athena and Artemis are completely moved to BlackBerry and iPhone, > there will be a number o

Re: [Ifeffit] Co doped ZnO

Guvenc, You may want to start here (look at # 14): < http://cars9.uchicago.edu/ifeffit/FAQ/FeffitModeling?highlight=(doped)#head-b273ecfd19542ec82ea031bbcc57ff8861fc11f9 > HTH, -Richard On Thu, Nov 13, 2008 at 8:27 PM, Guvenc Akgul (gakgul) <[EMAIL PROTECTED]>wrote: > dear all, > > I have 1

Re: [Ifeffit] feff8

Information on FEFF is found here: http://leonardo.phys.washington.edu/feff/welcome.html -Rich On Fri, Oct 24, 2008 at 2:42 PM, Guvenc Akgul (gakgul) <[EMAIL PROTECTED]>wrote: > Hi all, > > I want to calculate L2and L3 absorption edges for Fe as theoretical. > Where can I find feff8 software

Re: [Ifeffit] Reference spectra for KCl

Andrei, What you are looking for may be located here: http://ixs.iit.edu/database/data/Farrel_Lytle_data/RAW/periodic-table.html If not, a publication database is also available ( http://www.xafs.org/Databases) that might guide you to someone who has the data. HTH, Richard On Fri, Oct 3, 2008

Re: [Ifeffit] plot linetypes option in athena windows version

s.aps.anl.gov/mailman/listinfo/ifeffit >> > > _______ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > -- Richard Mayes Barnes Group 450/452 Buehle

Re: [Ifeffit] reference spectra for Cu(OH)2

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

Re: [Ifeffit] quotation of figures

re on your soapbox, if we drop "Debye-Waller factor" to describe the EXAFS disorder term, would you suggest using only "disorder" or do you have a better phrase to use? Rich -- Richard Mayes Barnes Group 450/452 Buehler Hall Department of Chemistry University of Tennessee K

Re: [Ifeffit] iron L edges

Bruce, At first glance, check... Spectroscopic studies of the reaction of water with metal oxide surfaces. Kendelewicz, T.; Liu, P.; Brown, G. E., Jr.; Nelson, E. J.; McCarthy, M. I.; Chambers, S. A. Mineralogical Magazine (1998), 62A(Pt. 2), 763-764. It's supposed to have the Fe

Re: [Ifeffit] Sulphur spectra database?

s.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > -- Richard Mayes Barnes Group 450/452 Buehler Hall Department of Chemistry University of Tennessee Knoxville, TN 37996 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] Rutile Rbkq remove question.

rs.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > -- Richard Mayes Barnes Group 450/452 Buehler Hall Department of Chemistry University of Tennessee Knoxville, TN 37996 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.an

Re: [Ifeffit] sorting files in Athena

t; Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > -- Richard Mayes Barnes Group 450/452 Buehler Hall Department of Chemistry University of Tennessee Knoxville, TN 37996 ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] saving a window function in Athena/Artemis

s Light Source WSLA/210 > 5232 Villigen PSI > Switzerland > > Phone: +41 56 310 5362 > Fax: +41 56 310 3171 > E-mail: [EMAIL PROTECTED] > Web: http://lsu.epfl.ch > http://femto.web.psi.ch > > ___ > Ifeffit mailing list &g

Re: [Ifeffit] Is there a Artemis User's Guide like the Athena?

-- > Bruce Ravel --- [EMAIL PROTECTED] > > National Institute of Standards and Technology > Synchrotron Methods Group at Brookhaven National Laboratory > Building 535A > Upton NY, 11973 > > My homepage:http://cars9.uchicago.edu/~ravel > EXAFS software: http://cars9.uchicago.edu/~rav

Re: [Ifeffit] SA and issue with importing into Artemis

t; Anatoly > > -Original Message- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of Richard > Mayes > Sent: Friday, November 09, 2007 12:13 PM > To: ifeffit@millenia.cars.aps.anl.gov > Subject: Re: [Ifeffit] SA and issue with importing into Artemis

[Ifeffit] SA and issue with importing into Artemis

d deleting all the groups in Athena except the one I wanted and this still occurs. Any ideas on how to get around this? FYI: I'm running Athena (0.8.054) and Artemis (0.8.011) on a laptop (1.7 GHz Pentium M processor & 2 GB RAM) with Windows XP Pro. Thanks!! -Richard -- Richard Mayes Bar

[Ifeffit] Self absorption questions

han in the higher Z elements (like tin)? Does the high background due to the silicon at the lower energies (4.9 keV) in relation to the higher energies (29.2 keV) have an effect or is it just an underlying, independent issue that is more pronounced with the lower Z elements when self absorption occurs?

Re: [Ifeffit] Iron(III) carboxylate structures

t's just the Ifeffit list, though--I can > still send to people inside the ANL firewall with no problems. > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >

Re: [Ifeffit] Low amp results

of GDS manipulation. My PC runs under Win XP, and > My > Artemis runs under feff8 conditions. Thank you. > Joji Kuniya > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo

Re: [Ifeffit] An Ifeffit question.

There's another way to get better looking plots out of Athena and Artemis (for those of us who can't completely give up microsoft just yet), although it's probably a little more time intensive than the options Bruce mentioned...in the pgplot menu, save the image as a metafile, then import the metaf

Re: [Ifeffit] large Eo's and neg. D-W factors

Scott, I think I understand now. By restraining the negative Debye-Waller factor, I may have been treating the symptom instead of the cause. I'll go back and check my model. Also, should I be worried if my Debye-Waller factors get small (0.0005-0.001) if I optimize my model in FEFF to a poin

Re: [Ifeffit] large Eo's and neg. D-W factors

Scott, Thanks for the clues! The restraints seem to be working to get the DW factors positive. I'm still battling Ifeffit reversing the paths, but things are getting slowly better. Rich > Hi Rich, > > I know you posted this a while ago, so you may have gotten other > answers, but I don't see t

Re: [Ifeffit] Athena and Artemis reference

Mihail, Go to ; the cititation is listed under the "Hephaestus, Athena, Artemis" link. The Ifeffit citation is also listed under its link. Cheers, Rich > Dear Bruce, > What reference we can give in our papers for using Athena and Artemis > packages, which you guys h

Re: [Ifeffit] Help with MoOx fitting

ture for a moly-silicate, you should be able to build a decent model using a blank Atoms template. HTH, -Richard Mayes g d wrote: > Hi all, > Is there anyone having experience with MoOx fitting? The sample I have is > MoOx supported on structured silica (most possibly with tetrahedral

Re: [Ifeffit] viewing individual Fourier components with Athena

Bruce, There was a miscommunication dealing with what I was told to do. Sorry for the confusion. Rich Bruce Ravel wrote: > On Tuesday 20 March 2007 16:36, Richard Mayes wrote: >> Basically, I have been asked to plot what Artemis gives for the theory >> when an individual

Re: [Ifeffit] viewing individual Fourier components with Athena

Scott, Basically, I have been asked to plot what Artemis gives for the theory when an individual path is plotted, except I'm supposed to do it for the raw data...that is, plot the individual paths that sum to the observed chi(k). However, looking at the picture from some old rhodium dimer EXAF

[Ifeffit] viewing individual Fourier components with Athena

Hello all. Is it possible to view the individual Fourier components of a Fourier transformed EXAFS spectrum in Athena? If so, can someone please direct me toward the documentation that explains how I can do this. Thanks! -Richard Mayes Barnes Group 450/452 Buehler Hall Dept. of Chemistry

Re: [Ifeffit] CN and bond distances in Artemis

Juan, There are 2 ways to apply the self-absorption correction in Athena. The first way is to pick thicknesses starting with a couple microns and going thicker and thicker until the correction has no effect. I like this method because it gives an idea of the effects that thickness and conce

Re: [Ifeffit] Artemis import error

pears to be. Thanks for the help! Rich Bruce Ravel wrote: On Monday 23 October 2006 10:46, Richard Mayes wrote: I'm having trouble importing an Athena project file into Artemis. When I try to import a particular set of data into Artemis as an Athena project file, Artemis keeps giving th

[Ifeffit] Incorporating FEFF8 into IFEFFIT

Bruce, I have just recieved a copy of FEFF8. Is there a way to incorporate it into Artemis on the windows version of IFEFFIT? In theory, we should be able to play a "shell game" with the names of the executable files and get FEFF8 to work while IFEFFIT thinks it's running FEFF6l (by changing