Re: [Ifeffit] Ifeffit Digest, Vol 173, Issue 1

[Christopher Thomas Chantler]

Thanks Fred and well suggested. I also encourage all interested.


--
Christopher Chantler, Professor, FAIP, Fellow American Physical Society
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au
 
chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html


From: Ifeffit  on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 

Sent: Wednesday, 5 July 2017 8:21:22 PM
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Subject: Ifeffit Digest, Vol 173, Issue 1

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Today's Topics:

   1. Improving Data Quality in XAFS Spectroscopy Workshop - Q2XAFS
  2017 - Reminder to Register & Deadline for Poster Abstracts
  (fred.mosselm...@diamond.ac.uk)


--

Message: 1
Date: Wed, 5 Jul 2017 10:14:17 +
From: 
To: 
Subject: [Ifeffit] Improving Data Quality in XAFS Spectroscopy
Workshop - Q2XAFS 2017 - Reminder to Register & Deadline for Poster
Abstracts
Message-ID: 
Content-Type: text/plain; charset="iso-8859-1"


[cid:image002.jpg@01D2974C.A644EF90]

Q2XAFS 2017 will bring together experts in the field of X-ray Absorption 
Spectroscopy to discuss aspects of the technique that affect data quality in 
XAFS experiments. The workshop will provide a forum for discussions with the 
goal of reviewing international standards and protocols, and developing revised 
recommendations for best practice when performing XAFS experiments. It will 
also look towards the first agreed data formats and standards for XAFS data and 
deposition.

The workshop is hosted by Diamond Light 
Source and will take place on Monday 14th & 
Tuesday 15th August at Harwell Science and Innovation Campus, Didcot, UK.  The 
full programme can be viewed on the website here - Q2XAFS 2017 
Programme.

Registration is ?220 standard and ?180 for students which includes access to 2 
full days of scientific programme, a welcome reception (Sunday 13th August) a 
workshop dinner (Monday 14th) , optional facility tour and lunches and 
refreshments each day.

The call for poster abstracts will remain open until the 7th July, please see 
the website for more details on 
submission
 poster presentation and for the abstract template.

Visit the Q2XAFS 2017 
website to register and 
for details of the programme and further information. 
http://www.q2xafs2017.com/Conference/Q2XAFS2017.html

We hope you can join us in August.

Best wishes,
Q2XAFS 2017 Local Organising Committee
T: +44 (0) 1235 778384
E: q2xafs2...@diamond.ac.uk

Sorry for this partial spam, but my excuse Is the "godfathers"(?) of this list 
Matt Newville ,in person,  and Bruce Ravel, by videolink, will be presenting, 
and sometimes it is sunny in Oxfordshire.
Fred

J.F.W. Mosselmans
Principal Beamline Scientist I18
Diamond Light Source Ltd
Diamond House
Harwell Campus
Didcot
OX11 0DE

P + 44 1235 778568
M + 44 7785510211
E 

Re: [Ifeffit] Ifeffit Digest, Vol 170, Issue 21

[Christopher Thomas Chantler]

[?] I'm just agreeing with Matt's comment.


Too fine a spacing does not help you due to typical broadening from imfp or 
thermal sources [or structural disorder].


And the difference between operation of ifeffit and larch in this context is 
pretty interesting.


--
Christopher Chantler, Professor, FAIP, Fellow American Physical Society
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.=mailto%3achantler%40unimelb.edu.au>
 
chant...@me.com<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.=mailto%3achantler%40me.com>
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.=http%3a%2f%2foptics.ph.unimelb.edu.au%2f%7echantler%2fxrayopt%2fxrayopt.html>
http://optics.ph.unimelb.edu.au/~chantler/home.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdAITgSrfUpfDAUV5oUH1LFYBcz08w8xvHMJoosZRdagfQM.=http%3a%2f%2foptics.ph.unimelb.edu.au%2f%7echantler%2fhome.html>


From: Ifeffit <ifeffit-boun...@millenia.cars.aps.anl.gov> on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 
<ifeffit-requ...@millenia.cars.aps.anl.gov>
Sent: Friday, 21 April 2017 11:01:11 PM
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Subject: Ifeffit Digest, Vol 170, Issue 21

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Today's Topics:

   1. Re: Ifeffit Digest, Vol 170, Issue 19 (Matt Newville)
   2. Fwd:  Ifeffit Digest, Vol 170, Issue 19 (Matt Newville)
   3. Looking for EXAFS data of Ni2+ ion in aqueous solution (Van Vu)


--

Message: 1
Date: Thu, 20 Apr 2017 21:18:39 -0500
From: Matt Newville <newvi...@cars.uchicago.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Ifeffit Digest, Vol 170, Issue 19
Message-ID:
<ca+7esbpewenmlpspnyaxt4j2t1lkjaayua59xcgeblptekt...@mail.gmail.com>
Content-Type: text/plain; charset="utf-8"

Hi Chris,

On Thu, Apr 20, 2017 at 5:02 PM, Christopher Thomas Chantler <
chant...@unimelb.edu.au> wrote:

> Note that in general any and every smoothing operation reduces the
> information content of the data and its ability to reveal structure.
>

Well, maybe.  If one has mu(E) measured every 0.01 eV over an 600 eV EXAFS
scan to k=12A^-1, one does not really 60,000 independent measures of the
structure.  Yuji's data wasn't that absurd, but it did have close to 4000
measurements for the full EXAFS spectrum out to k=18^-1.  And to be clear,
there is not anything wrong with that, it's just a matter of how you decide
to treat it.

As the plots attached in Yuji's original message and my replies show, the
resulting chi(k) definitely has is amplitude suppressed when doing a simple
boxcar average of data onto the 0.05 Ang^-1 grid (Athena with Ifeffit).
But when using cubic spline interpolation (Larch), the amplitude of the
EXAFS oscillations are not noticeably suppressed, though the high frequency
noise is also much higher.  Applying a Savitzky-Golay filter prior to the
cubic spline interpolation did not appreciably suppress the EXAFS
oscillations though the high frequency noise was reduced.

Very finely-spaced energy data might reveal is at much higher R than we can
hope to model with EXAFS.  A k-grid of 0.05 Ang^-1 can give frequencies to
31Ang, and so is probably accurate to 16Ang without significant signal
loss.   That is, out to k=18Ang^-1, you really only need 360 samples, but
you'd like these as noise-free as possible.  Having 3600 measurements on a
grid of 0.005 Ang^-1  might give you data out to 160Ang in principle, but
the photo-electron tends to not cooperate.

--Matt
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-

Re: [Ifeffit] Ifeffit Digest, Vol 170, Issue 19

[Christopher Thomas Chantler]

Note that in general any and every smoothing operation reduces the information 
content of the data and its ability to reveal structure. Also, many of the 
smoothing algorithms change the data point values at vertices, so change the 
data prior to analysis.


Hence in general avoid unless you know exactly the physical cause requiring 
smoothing.


Best wishes


--
Christopher Chantler, Professor, FAIP, Fellow American Physical Society
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au
 
chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html


From: Ifeffit  on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 

Sent: Friday, 21 April 2017 3:00:01 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 170, Issue 19

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Today's Topics:

   1. Re: The difference of EXAFS oscillation when using Athena and
  when using Larch (Yuji Mahara)


--

Message: 1
Date: Thu, 20 Apr 2017 19:47:20 +0900
From: "Yuji Mahara" 
To: "'XAFS Analysis using Ifeffit'"

Subject: Re: [Ifeffit] The difference of EXAFS oscillation when using
Athena  and when using Larch
Message-ID: <003501d2b9c3$7c75c560$75615020$@e.mbox.nagoya-u.ac.jp>
Content-Type: text/plain; charset="utf-8"

Dear Matt



Thank you for your reply.

I confirmed that chi (k) becomes smooth by the Savitzky-Goley method by doing 
the attached lar file.



I will try on various conditions from now.

I may also ask if there is something I do not understand.

Thank you for your help again!



Bests,

Yuji Mahara





From: Ifeffit [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of 
Matt Newville
Sent: Thursday, April 20, 2017 5:26 AM
To: XAFS Analysis using Ifeffit 
Subject: Re: [Ifeffit] The difference of EXAFS oscillation when using Athena 
and when using Larch



Hi Yuji,

The attached larch script (a modification of your script but note: not python, 
so you may have to add a bunch of '_larch=mylarch' arguments) to show the 
effects of smoothing with Savitzky-Golay and of interpolating onto a "classic 
XAFS energy grid".   You might want to play around with this different options. 
 It definitely seems that none of these methods are systematically 
over-smoothing the data and reducing the amplitudes of the oscillations -- one 
more reason to use Larch instead of Ifeffit.  But it also seems like smoothing 
this data with a Savitzky-Golay fitler is helpful.

Also attached are plots showing k- and R-space generated from the attached 
script.



--Matt

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End of Ifeffit Digest, Vol 170, Issue 19

Re: [Ifeffit] Ifeffit Digest, Vol 170, Issue 7

[Christopher Thomas Chantler]

You really need to know the number of actual data points, which must come from 
the actual data. You should also know the experimental uncertainties of each 
point.


Most standard procedures map the actual data to a uniform grid, sometimes with 
smoothing of the original data. Then the information content is lost.


We are doing final testing on some general routines to address this and will 
make them available soon.


--
Christopher Chantler, Professor, FAIP, Fellow American Physical Society
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au
 
chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html


From: Ifeffit  on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 

Sent: Tuesday, 11 April 2017 3:00:02 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 170, Issue 7

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Today's Topics:

   1. Information content from Athena for Hamilton test? (Will Bennett)
   2. Re: Information content from Athena for Hamilton test?
  (Wayne Lukens)


--

Message: 1
Date: Mon, 10 Apr 2017 13:59:36 +1000
From: Will Bennett 
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Information content from Athena for Hamilton test?
Message-ID:

Re: [Ifeffit] Ifeffit Digest, Vol 162, Issue 17

[Christopher Thomas Chantler]

Topic 1: We have a routine /edit within ifeffit (our modified version) which 
propagates and fits uncertainty.
Working on a couple of minor details before passing it on to Matt and Bruce for 
general use.

Topic 3: Monochromator glitches should be eliminated in absorption spectra 
under normal circumstances if the dark current estimation is well defined. I 
recommend careful measurement and recording of this for all spectra.


Christopher Chantler, Professor, FAIP
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html



From: Ifeffit [ifeffit-boun...@millenia.cars.aps.anl.gov] on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 
[ifeffit-requ...@millenia.cars.aps.anl.gov]
Sent: Friday, 12 August 2016 11:22 PM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 162, Issue 17

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Today's Topics:

   1. Statistical errors in linear combination fits (Joshua Kas)
   2. Re: Statistical errors in linear combination fits (Bruce Ravel)
   3. Athena interpolation when removing mono glitches
  (Michael Gaultois)
   4. Re: Athena interpolation when removing mono glitches (Bruce Ravel)


--

Message: 1
Date: Thu, 11 Aug 2016 13:31:45 -0700
From: Joshua Kas 
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Statistical errors in linear combination fits
Message-ID:

Content-Type: text/plain; charset="utf-8"

Hi All,
I was wondering if it is possible to pass a value for the uncertainty in
the data to Athena when doing linear combination fits. We have calculated
chi^2 values using a simple estimate of the statistical uncertainty, and
find that our values differ by several factors of 10 when compared to the
reported values from Athena. I assume that this has to do with value of the
uncertainty that Athena is using, but I certainly could be mistaken. In any
case, the reduced chi^2 reported by Athena is much smaller than 1, while
the fit is off by fairly large amounts compared to any reasonable estimate
of the statistical error.
Thanks in advance for any help and sorry if this info is already available
in the archives,
Josh Kas
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Message: 2
Date: Thu, 11 Aug 2016 16:43:36 -0400
From: Bruce Ravel 
To: XAFS Analysis using Ifeffit 
Subject: Re: [Ifeffit] Statistical errors in linear combination fits
Message-ID: <507e138f-9ab8-9de3-0629-bfd85aad1...@bnl.gov>
Content-Type: text/plain; charset=windows-1252; format=flowed

On 08/11/2016 04:31 PM, Joshua Kas wrote:
> I was wondering if it is possible to pass a value for the uncertainty in
> the data to Athena when doing linear combination fits. We have
> calculated chi^2 values using a simple estimate of the statistical
> uncertainty, and find that our values differ by several factors of 10
> when compared to the reported values from Athena. I assume that this has
> to do with value of the uncertainty that Athena is using, but I
> certainly could be mistaken. In any case, the reduced chi^2 reported by
> Athena is much smaller than 1, while the fit is off by fairly large
> amounts compared to any reasonable estimate of the statistical error.

Not so easy with Ifeffit, quite easier with larch.  It's on my to do
list, but has not yet been implemented in Athena.

B

--
  Bruce Ravel   bra...@bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 743, Room 114
  Upton NY, 11973

  Homepage:http://bruceravel.github.io/home/
  Software:https://github.com/bruceravel
  Demeter: http://bruceravel.github.io/demeter/


--

Message: 3
Date: Fri, 12 Aug 

Re: [Ifeffit] Ifeffit Digest, Vol 159, Issue 5

[Christopher Thomas Chantler]

Hi All

Most of them can be downloaded from either here

https://www.researchgate.net/profile/Christopher_Chantler/

or here

www.ph.unimelb.edu.au/~chantler/opticshome/papers.html



Christopher Chantler, Professor, FAIP
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html



From: Ifeffit [ifeffit-boun...@millenia.cars.aps.anl.gov] on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 
[ifeffit-requ...@millenia.cars.aps.anl.gov]
Sent: Sunday, 15 May 2016 9:20 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 159, Issue 5

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Today's Topics:

   1. Re: Ifeffit Digest, Vol 159, Issue 4 (Matteo Busi)


--

Message: 1
Date: Sun, 15 May 2016 01:20:03 +0200
From: Matteo Busi 
To: "ifeffit@millenia.cars.aps.anl.gov"

Subject: Re: [Ifeffit] Ifeffit Digest, Vol 159, Issue 4
Message-ID:

Re: [Ifeffit] Ifeffit Digest, Vol 155, Issue 16

[Christopher Thomas Chantler]

Dear Jason
Good topic

We have published a few papers discussing analysis with thickness distributions 
and roughness. Normally the XERT method will address this especially for small 
samples.

Particularly see J. L. Glover, C. T. Chantler, M. D. de Jonge, ‘Nano-roughness 
in gold revealed from X-ray signature,’ Physics Letters A373 (2009) 1177-1180. 
The general topic of thickness effects is of course wider, and partially 
addressed in a couple of other papers.

Hope this helps
Chris

Christopher Chantler, Professor, FAIP
Editor-in-Chief, Radiation Physics and Chemistry
Chair, International IUCr Commission on XAFS
President, International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html



From: Ifeffit [ifeffit-boun...@millenia.cars.aps.anl.gov] on behalf of 
ifeffit-requ...@millenia.cars.aps.anl.gov 
[ifeffit-requ...@millenia.cars.aps.anl.gov]
Sent: Sunday, 31 January 2016 5:00 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 155, Issue 16

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Today's Topics:

   1. Re: Effect of gradual thickness variation in beam (Jason Gaudet)


--

Message: 1
Date: Fri, 29 Jan 2016 14:32:43 -0500
From: Jason Gaudet 
To: XAFS Analysis using Ifeffit 
Subject: Re: [Ifeffit] Effect of gradual thickness variation in beam
Message-ID:

Content-Type: text/plain; charset="utf-8"

Hi Anatoly,

Sorry, I meant to write 1000 um inner diameter.

Energies will be V and Fe, 5465 & 7112 eV.  Samples are roughly 1
absorption length thick for the metal (V, Fe) and about 2-2.5 absorption
lengths for the entire sample.

Bruce,

I may just flip over the sample holder and have the sample tubes in plane
with the storage ring to take advantage of the greater horizontal spread,
rather than focusing on the vertical.  Cutting the vertical slits down to
100-300 um while keeping the horizontal around 500 um ought to get me the
most beam at the least variation in mu(E), especially if I go with 1500 um
ID tubes.  The samples are nice and concentrated so I can afford to give up
a lot of photon flux.  Bar-napkin calculations tell me with a 1500 um ID
tube and 200 um V 750 um H slits I'll lose an acceptable amount of photon
flux and have a <1% thickness variation.  I'm fairly confident I've made
pressed pellets with as much or more variation from one spot to another,
without noticeable mu(E) changes from spot to spot, in the vicinity of this
energy range.

I'll go ahead and take your advice, and amend my setup procedure with some
measurements of Io intensity and mu(E) reproducibility as a function of
slit width.  While a bit of a bother, it's still worth it to keep our
sample prep simple and inexpensive.

Thanks,

Jason


On Thu, Jan 28, 2016 at 9:12 AM, Bruce Ravel  wrote:

> On 01/27/2016 07:05 PM, Jason Gaudet wrote:
>
>> I'm planning on some transmission-mode XAS with smaller than usual
>> sample tubes.  I'm realizing I might be in danger of creating excessive
>> non-uniformity in my samples by having the beam size on the same order
>> of magnitude as the sample tube radius.
>>
>> For example, let's say I want to measure liquid in a sample tube with a
>> 1000 micron outer diameter, with a beam 500 microns wide and centered on
>> the sample tube. If the tube is orthogonal to the ring plane, the entire
>> vertical portion of the beam will pass through the same length of
>> liquid.  But in the horizontal plane, the center of the beam will pass
>> through 1000 microns of sample while the edges of the beam will pass
>> through 866 microns of sample, due to the curvature of the sample cell
>> across the horizontal plane.
>>
>> Most of what I know about the statistics of thickness effects are about
>> leakage and pinholes - nonlinearity caused by a few spots having very
>> low or negligible sample thickness.  But I don't know how significant a
>> "mild" thickness distribution might be.  If this sort of thickness
>> distribution is going to be an issue it would be 

Re: [Ifeffit] Ifeffit Digest, Vol 111, Issue 5

[Christopher Thomas Chantler]

Hi All

There has been much discussion of this at the recent Q2XAFS meeting.
Proceedings are I believe being reviewed at the moment.

From I think some consensus of those attending, the most critical and most
portable data was [mu/rho] versus E, with uncertainties; or mu versus E.
Secondary data such as k^2chi vs k or chi vs r etc remains valuable of
courseŠ
I hope this helps. With luck there will be much discussion of this in
Beijing [if we can all get visas!]

Chris


Christopher Chantler, Professor, FAIP
Editor-in-Chief, Radiation Physics and Chemistry
Secretary, Steering Committee, International IUCr Commission on XAFS
Vice-President (Australasia) International Radiation Physics Society
School of Physics, University of Melbourne
Parkville Victoria 3010 Australia
+61-3-83445437 FAX +61-3-93474783
chant...@unimelb.edu.au chant...@me.com
http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html
http://optics.ph.unimelb.edu.au/~chantler/home.html




On 8/05/12 3:00 AM, ifeffit-requ...@millenia.cars.aps.anl.gov
ifeffit-requ...@millenia.cars.aps.anl.gov wrote:

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Today's Topics:

   1. Re: Writing a paper (Bruce Ravel)


--

Message: 1
Date: Mon, 07 May 2012 12:32:16 -0400
From: Bruce Ravel bra...@bnl.gov
To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] Writing a paper
Message-ID: 3694643.vNiDHMscfl@lachesis
Content-Type: text/plain; charset=us-ascii

On Monday, May 07, 2012 04:10:35 PM mattie.p...@huskers.unl.edu wrote:
 Hello Everyone,
 
 I am in the process of fitting XAFS data for a paper and I was wondering
 what type of information should should be included.  I remember coming
 across a website that had this information on it awhile ago but I can't
 seem to find my way back.  We would like to publish a qualitative XANES
 paper and an EXAFS paper.  Any suggestions on the type of information
 (plots, tables, R-factor, etc.) that should be included in each paper
 separately would be appreciated.

Was this the page you were looking for?

   http://xafs.org/Reporting_EXAFS_Analysis

Incomplete, but useful.

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

 Homepage:http://xafs.org/BruceRavel
 Software:https://github.com/bruceravel


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End of Ifeffit Digest, Vol 111, Issue 5
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