[Ifeffit] RE: Ifeffit Digest, Vol 46, Issue 5
Khalid, Syed
khalid at bnl.gov
Wed Dec 6 08:29:47 CST 2006
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: ifeffit-bounces at millenia.cars.aps.anl.gov
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Subject: Ifeffit Digest, Vol 46, Issue 5
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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? <Juan.Macia at ua.es>
Subject: Re: [Ifeffit] CN and bond distances in Artemis
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <4575BB18.4FA6855E at ua.es>
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.
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------------------------------
Message: 2
Date: Tue, 5 Dec 2006 13:37:07 -0500
From: "Anatoly Frenkel" <frenkel at bnl.gov>
Subject: RE: [Ifeffit] CN and bond distances in Artemis
To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <BGEDLMFIGNMIHKCCPCACOECCCFAA.frenkel at bnl.gov>
Content-Type: text/plain; charset="us-ascii"
I would remeasure Pt foil in transmission, by all means.
Anatoly
-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov]On 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" <mamarcus at lbl.gov>
Subject: Re: [Ifeffit] CN and bond distances in Artemis
To: <anatoly.frenkel at yu.edu>, "XAFS Analysis using Ifeffit"
<ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <00b201c7189e$ab9bc3c0$dd4cf383 at lbl.gov>
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" <frenkel at bnl.gov>
To: "XAFS Analysis using Ifeffit" <ifeffit at 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: ifeffit-bounces at millenia.cars.aps.anl.gov
> [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov]On 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 at 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 <SCalvin at slc.edu>
Subject: Re: [Ifeffit] CN and bond distances in Artemis
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <7.0.1.0.0.20061205134539.02119b40 at slc.edu>
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" <frenkel at bnl.gov>
Subject: RE: [Ifeffit] CN and bond distances in Artemis
To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <BGEDLMFIGNMIHKCCPCACGECDCFAA.frenkel at bnl.gov>
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:mamarcus at lbl.gov]
Sent: Tuesday, December 05, 2006 1:54 PM
To: anatoly.frenkel at yu.edu; 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" <frenkel at bnl.gov>
To: "XAFS Analysis using Ifeffit" <ifeffit at 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: ifeffit-bounces at millenia.cars.aps.anl.gov
> [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov]On 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 at 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 <bravel at anl.gov>
Subject: Re: [Ifeffit] CN and bond distances in Artemis
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <200612051429.34898.bravel at anl.gov>
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 ---------------------------------------------- bravel at 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/
------------------------------
Message: 7
Date: Wed, 06 Dec 2006 14:09:14 +0100
From: Gerrit Schmithals <schmithals at hmi.de>
Subject: Re: [Ifeffit] Re: question on Athena data import
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Message-ID: <4576C0FA.5090805 at hmi.de>
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
------------------------------
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