You can download Pt foil, L3 edge data from the following web data base: The energy range is -200 eV below to 1250 eV above the edge. Save it as txt file. Follow the instructions to save the data file as given on the main page.
http://www.nsls.bnl.gov/beamlines/x18b/data.htm A quick fitting of first path gives Amp = SO2 = 0.77 Syed Khalid -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Behalf Of [EMAIL PROTECTED] Sent: Wednesday, December 06, 2006 8:12 AM To: ifeffit@millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 46, Issue 5 Send Ifeffit mailing list submissions to ifeffit@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 [EMAIL PROTECTED] You can reach the person managing the list at [EMAIL PROTECTED] When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: CN and bond distances in Artemis (Juan Antonio Maci? Agull?) 2. RE: CN and bond distances in Artemis (Anatoly Frenkel) 3. Re: CN and bond distances in Artemis (Matthew Marcus) 4. Re: CN and bond distances in Artemis (Scott Calvin) 5. RE: CN and bond distances in Artemis (Anatoly Frenkel) 6. Re: CN and bond distances in Artemis (Bruce Ravel) 7. Re: Re: question on Athena data import (Gerrit Schmithals) ---------------------------------------------------------------------- Message: 1 Date: Tue, 05 Dec 2006 19:31:53 +0100 From: Juan Antonio Maci? Agull? <[EMAIL PROTECTED]> Subject: Re: [Ifeffit] CN and bond distances in Artemis To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="us-ascii" Hi all, I did fits with self absorption corrected data (Fluo and Booth algorithms) and the value for S02 is 1.20 (0.30). It seems that I am not very lucky, if I take an average value (1.20 and 0.50), it should be ok (0.85) jeje, I am joking. Then...what can I do now? Thank you very much, Best regards, JA P.S. If I do not answer until Monday do not hate me, I will be on holidays. -------------- next part -------------- A non-text attachment was scrubbed... Name: Juan.Macia.vcf Type: text/x-vcard Size: 286 bytes Desc: Tarjeta para Juan Antonio Maciá Agulló Url : http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20061205/c9e08e6c/Juan.Macia-0001.vcf ------------------------------ Message: 2 Date: Tue, 5 Dec 2006 13:37:07 -0500 From: "Anatoly Frenkel" <[EMAIL PROTECTED]> Subject: RE: [Ifeffit] CN and bond distances in Artemis To: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="us-ascii" I would remeasure Pt foil in transmission, by all means. Anatoly -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Behalf Of Juan Antonio Macia Agullo Sent: Tuesday, December 05, 2006 1:32 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] CN and bond distances in Artemis Hi all, I did fits with self absorption corrected data (Fluo and Booth algorithms) and the value for S02 is 1.20 (0.30). It seems that I am not very lucky, if I take an average value (1.20 and 0.50), it should be ok (0.85) jeje, I am joking. Then...what can I do now? Thank you very much, Best regards, JA P.S. If I do not answer until Monday do not hate me, I will be on holidays. ------------------------------ Message: 3 Date: Tue, 5 Dec 2006 10:53:36 -0800 From: "Matthew Marcus" <[EMAIL PROTECTED]> Subject: Re: [Ifeffit] CN and bond distances in Artemis To: <[EMAIL PROTECTED]>, "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; format=flowed; charset="iso-8859-1"; reply-type=original I imagine somebody has done so and would be willing to provide that data. Unfortunately, the Newville database doesn't have it, and I don't think I do. Anatoly, surely you must have done Pt foil? Yes, I know it's best to measure everything on the same beamline, but it's not essential. mam ----- Original Message ----- From: "Anatoly Frenkel" <[EMAIL PROTECTED]> To: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Sent: Tuesday, December 05, 2006 10:37 AM Subject: RE: [Ifeffit] CN and bond distances in Artemis >I would remeasure Pt foil in transmission, by all means. > > Anatoly > > > > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] Behalf Of Juan > Antonio Macia Agullo > Sent: Tuesday, December 05, 2006 1:32 PM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] CN and bond distances in Artemis > > > > Hi all, > > I did fits with self absorption corrected data (Fluo and Booth algorithms) > and the > value for S02 is 1.20 (0.30). It seems that I am not very lucky, if I take > an > average value (1.20 and 0.50), it should be ok (0.85) jeje, I am joking. > > Then...what can I do now? > > Thank you very much, > > Best regards, > JA > > P.S. If I do not answer until Monday do not hate me, I will be on holidays. > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > ------------------------------ Message: 4 Date: Tue, 05 Dec 2006 14:02:41 -0500 From: Scott Calvin <[EMAIL PROTECTED]> Subject: Re: [Ifeffit] CN and bond distances in Artemis To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="iso-8859-1"; format=flowed Hi JA, I agree with Anatoly that remeasuring in transmission is a good idea, if you have the beam time. But I would also note that the value you have for S02 with the correction is within the realm of possibility, considering the uncertainty: 1.20 - 0.30 = 0.90. And part of the reason for starting with a standard in the first place is to work out some of the other difficulties that may arise; e.g. questions of normalization. If it is not practical for you to remeasure right now, you can try some of the things that can reduce the uncertainty in S02: fitting with multiple k-weights, changing the k-range being fit, fitting multiple coordination shells, etc.. I also just checked a past paper of mine, and see I ended up with an S02 for a set of platinum samples (transmission) of 1.16 +/- 0.05, suggesting that I wasn't doing something quite right (probably not sample preparation or measurement issues, since most of those tend to lower S02). But since that set of samples included a standard, and I was really interested in the differences between samples (including the standard), the fact that I have some systematic error that's causing the S02 to come out a tad large was acceptable, if a bit troubling. The paper is S. Calvin et al., Appl. Phys. Lett. 87, 233102 (2005). --Scott Calvin Sarah Lawrence College P.S. Just as I finished writing this, Matthew Marcus' post came through. I do have Pt foil data in transmission that I can dig up for you, if you'd like. Maybe I'll send it to Matt to put in the database; it's pretty good quality, as I recall (good data out to 20 inverse angstroms or so). At 01:31 PM 12/5/2006, Juan Antonio Maciá Agulló wrote: >Hi all, > >I did fits with self absorption corrected data >(Fluo and Booth algorithms) and the >value for S02 is 1.20 (0.30). It seems that I am not very lucky, if I take an >average value (1.20 and 0.50), it should be ok (0.85) jeje, I am joking. > >Then...what can I do now? ------------------------------ Message: 5 Date: Tue, 5 Dec 2006 14:06:25 -0500 From: "Anatoly Frenkel" <[EMAIL PROTECTED]> Subject: RE: [Ifeffit] CN and bond distances in Artemis To: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="iso-8859-1" Hi Matthew, It should be very easy to send to him Pt foil data, especially because, based on my and others' tests, Pt data collected at different beamlines are "identical" and thus transferable, but what if the beamline settings (detuning, slit size, gases, etc.) were not optimized for his experiment? To make sure everything is tuned up correctly, he should take his own Pt foil data and compare with theory other other people standards (good idea!). Alternatively, he will have to operate under assumption that everything was tuned up correctly and his NP data are perfect, but why to take chances? Anatoly -----Original Message----- From: Matthew Marcus [mailto:[EMAIL PROTECTED] Sent: Tuesday, December 05, 2006 1:54 PM To: [EMAIL PROTECTED]; XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] CN and bond distances in Artemis I imagine somebody has done so and would be willing to provide that data. Unfortunately, the Newville database doesn't have it, and I don't think I do. Anatoly, surely you must have done Pt foil? Yes, I know it's best to measure everything on the same beamline, but it's not essential. mam ----- Original Message ----- From: "Anatoly Frenkel" <[EMAIL PROTECTED]> To: "XAFS Analysis using Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> Sent: Tuesday, December 05, 2006 10:37 AM Subject: RE: [Ifeffit] CN and bond distances in Artemis >I would remeasure Pt foil in transmission, by all means. > > Anatoly > > > > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] Behalf Of Juan > Antonio Macia Agullo > Sent: Tuesday, December 05, 2006 1:32 PM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] CN and bond distances in Artemis > > > > Hi all, > > I did fits with self absorption corrected data (Fluo and Booth algorithms) > and the > value for S02 is 1.20 (0.30). It seems that I am not very lucky, if I take > an > average value (1.20 and 0.50), it should be ok (0.85) jeje, I am joking. > > Then...what can I do now? > > Thank you very much, > > Best regards, > JA > > P.S. If I do not answer until Monday do not hate me, I will be on holidays. > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > ------------------------------ Message: 6 Date: Tue, 5 Dec 2006 14:29:34 -0600 From: Bruce Ravel <[EMAIL PROTECTED]> Subject: Re: [Ifeffit] CN and bond distances in Artemis To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="iso-8859-1" On Tuesday 05 December 2006 13:02, Scott Calvin wrote: > P.S. Just as I finished writing this, Matthew > Marcus' post came through. I do have Pt foil data > in transmission that I can dig up for you, if > you'd like. Maybe I'll send it to Matt to put in > the database; it's pretty good quality, as I > recall (good data out to 20 inverse angstroms or so). A few years ago, when I was commissioning X11b at NSLS, I prepared a some reports on how things were progressing. This one: http://cars9.uchicago.edu/~ravel/misc/X11b/update_sep02.html includes a link to an athena project file containing my measurements there on several foils and filters that we had lying around X11, including a Pt foil. It comes with all the caveats that the others have already discussed. I agree with what others have said -- Juan would be best served by remeasuring the Pt foil in transmission. That's not, however, the most immediately useful advice. Juan has a problem that he needs to solve *now*. It is quite possible that he will not be able to go to a synchrotron for quite some time. Suggesting that he is stuck until he returns to the synchrotron just isn't especially helpful. What I would recommend, Juan, to get you over this road block is to compare your measured data to the data from my project file or to someone else's data (or both!). Work on the self-absorption correction until your fluorescence data most closely resembles the data you are comparing to. Then proceed with your data analysis using the many excellent suggestions you have received so far. The *next* time you go to measure data, think really hard about how best to measure each of your samples and standards. Try to figure out how to measure the best possible data from each sample. Different samples require different experimental protocols. The goal is, of course, to obtain consistently excellent data, so you will need to be resourceful and do what each sample requires. As helpful as it is to have a slew of "experts" (y'know, disreputable sorts like me) telling you what you need to do, you must remember that your education is a process. If you learn from the mistakes you made last time and improve upon them next time, then you are proceeding in the correct direction. B -- Bruce Ravel ---------------------------------------------- [EMAIL PROTECTED] 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/ ------------------------------ Message: 7 Date: Wed, 06 Dec 2006 14:09:14 +0100 From: Gerrit Schmithals <[EMAIL PROTECTED]> Subject: Re: [Ifeffit] Re: question on Athena data import To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov> Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset=ISO-8859-1 Jay Brandes schrieb: > Ended up looking at the older threads and the fix posted a few months > ago, to use the program textwrangler and save in UNIX text format, > worked. The problem seems to be that the normal Mac text handling > programs do not have this option and Athena requires it. Just looking > at the files in another text editing program does not reveal the > problem. Anyway, problem solved. Hello Jay, Hello Bruce, I had the same issue a couple of weeks ago. As I had a large number of files to change from mac-linebreaks to windows-linebreaks (to unix-linebreaks can also be implemented) I wrote a small Perl-program that operates on all files in a directory and its subdirectories and do the reformatting for me. That saved me from opening/saving each file independently. If you (anyone) is interested in the code I can post it here, though I would first have to change a few lines as the script uses full paths. Of course you would have to have Perl installed on your computer. Cheers, Gerrit ------------------------------ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit End of Ifeffit Digest, Vol 46, Issue 5 ************************************** _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit