[Ifeffit] Ifeffit Digest, Vol 130, Issue 13

Tue Dec 10 04:06:14 CST 2013

Dear Matt and Bruce

Thanks, I thought its a common problem, i will be more specific in this
message.

I am using windows 7, 64 bits and/or 32 bits Operating System, installed
with updating 0.9.18.2 Demeter, its in the folder C:\strawberry.

To deglitch the single point of EXAFS data using Athena, after CHOOSE A
POINT option, when I double click on the plot of k space, it does choose a
point randomly and I can remove that particular point, but unfortunately, I
cannot move or select the point which I want to remove. It always choose a
random point by its own.

Do I miss something here ?

Regards
Sathish

On Mon, Dec 9, 2013 at 8:49 PM,
<ifeffit-request at millenia.cars.aps.anl.gov>wrote:

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> Today's Topics:
>
>    1. Athena 0.9.18.2 deglitch option (Sathish Mayanna)
>    2. Re: Athena 0.9.18.2 deglitch option (Bruce Ravel)
>    3. Re: Athena 0.9.18.2 deglitch option (Matt Newville)
>    4. Re: Itinerant vs localized XAFS (Latta, Drew E.)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 9 Dec 2013 19:24:33 +0100
> From: Sathish Mayanna <satty334 at gmail.com>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] Athena 0.9.18.2 deglitch option
> Message-ID:
>         <CABVfawmnabGT=
> S+iEwy-1bv0f6jSLRQc9gga+hSg0KjmaE5Cdg at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear all
>
> I wondering, if anyone has problem with the option deglitch in Athena
> especially for 32 or 64 bits Windows system?
>
> Would be really great, if anyone could help me to solve the problem, I have
> a EXAFS data with huge glitch and the software do not choose/remove the
> points and sometimes it crashes.
>
> Regards
> Sathish
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> ------------------------------
>
> Message: 2
> Date: Mon, 09 Dec 2013 13:52:48 -0500
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Athena 0.9.18.2 deglitch option
> Message-ID: <52A61180.8070603 at bnl.gov>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> On 12/09/2013 01:24 PM, Sathish Mayanna wrote:
> > Dear all
> >
> > I wondering, if anyone has problem with the option deglitch in Athena
> > especially for 32 or 64 bits Windows system?
> >
> > Would be really great, if anyone could help me to solve the problem, I
> > have a EXAFS data with huge glitch and the software do not choose/remove
> > the points and sometimes it crashes.
>
> Here's a useful read:
>
>    http://bruceravel.github.io/demeter/pods/bugs.pod.html
>
> The relevant bit is about how you cannot expect me to address your
> problem if I cannot reproduce it on my own computer.
>
> B
>
>
> --
>   Bruce Ravel  ------------------------------------ bravel at bnl.gov
>
>   National Institute of Standards and Technology
>   Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2
>   Building 535A
>   Upton NY, 11973
>
>   Homepage:    http://xafs.org/BruceRavel
>   Software:    https://github.com/bruceravel
>
>
> ------------------------------
>
> Message: 3
> Date: Mon, 9 Dec 2013 13:04:41 -0600
> From: Matt Newville <newville at cars.uchicago.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Athena 0.9.18.2 deglitch option
> Message-ID:
>         <
> CA+7ESboD5eqVU+9az2K2tnuW6mqj6aQhVz0yibpGvEsC0DntRQ at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> On Mon, Dec 9, 2013 at 12:24 PM, Sathish Mayanna <satty334 at gmail.com>
> wrote:
> > Dear all
> >
> > I wondering, if anyone has problem with the option deglitch in Athena
> > especially for 32 or 64 bits Windows system?
> >
> > Would be really great, if anyone could help me to solve the problem, I
> have
> > a EXAFS data with huge glitch and the software do not choose/remove the
> > points and sometimes it crashes.
>
> Hmm, not sure what the problem is.
>
> Deglitching works for me (Demeter 0.9.18.2 on Windows 7 32bit,
> installed somewhere other than C:\strawberry, even!). You do have to
> double-click on the plot after clicking on "Choose a point".   If that
> doesn't do it, can you be more specific?
>
> --Matt
>
>
> ------------------------------
>
> Message: 4
> Date: Mon, 9 Dec 2013 19:49:35 +0000
> From: "Latta, Drew E." <dlatta at anl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Itinerant vs localized XAFS
> Message-ID: <18769EC26267804994114D3AB31493CD24F8C98A at PAYTON.anl.gov>
> Content-Type: text/plain; charset="us-ascii"
>
> Curious... has anyone tackled the EXAFS problem you are describing with
> respect to the Verwey transition in magnetite (Fe3O4)? If anyone has tried
> it I'd suspect that to be the system where it has been done (given the many
> hundreds of papers that have been written on that one subject).
>
> Since this is an EXAFS mailing list, I suppose I'm being a little pedantic
> in mentioning that what you're looking for might be resolved with a 57Fe
> Moessbauer measurement. The itinerant electrons phenomenon is well known
> (and perhaps understood) in the Moessbauer community.
>
> Anyways, disregard this email if I'm telling you things you already know...
>
> Best,
>
> Drew Latta
>
> From: ifeffit-bounces at millenia.cars.aps.anl.gov [mailto:
> ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Maurits Boeije
> Sent: Monday, December 09, 2013 9:03 AM
> To: 'ifeffit at millenia.cars.aps.anl.gov'
> Subject: [Ifeffit] Itinerant vs localized XAFS
>
> Dear XAFS specialists,
>
> We've performed an experiment at the ESRF in Grenoble to find experimental
> evidence of an electronic change in our system. We suspect, from ab initio
> calculations, that there is a change in how electrons are allocated in our
> Mn/Fe system. Calculations show that some electrons change from being
> itinerant at high temperatures, to being localized at low temperatures.
> We performed an XAFS experiment and hope to see a difference between the
> low and high temperatures measurements. There is always difference because
> the cell parameters change as function of temperature, and I used your
> Artemis program to investigate the influence of the cell parameters on the
> EXAFS signal. I can get a decent fit using the crystallographic data we
> have, but I'm not sure if I'm not throwing away any evidence of our
> electronic change. I can interpret a fitted interatomic distance of 2.1 A
> (compared to 2.0 A we got from diffraction) as being the mean interatomic
> distance in our sample, but I could also interpret it as a 0.1 A difference
> because of our suspected electronic change.
> The challenge now lies in seeing an electronic difference despite the
> crystallographic change. What we would ideally do, is to keep the (known)
> atomic positions and cell parameters fixed, fit the EXAFS parameters and
> see if we can predict either the high or low temperature spectrum. Do you
> think this is possible? Are there any parameters which are calculated by
> IFEFFIT who are not precise enough for such a conclusion? It could be that
> the effect we are looking for is so small that they are nullified by the
> assumptions in the EXAFS equation.
>
> I would appreciate any insight you could have in this particular problem.
>
> With kind regards,
>
> Drs. MFJ Boeije
> Fundamental Aspects of Materials and Energy
>
> TU Delft
> T +31 (0)15 27 83793
>
> No trees were killed to send this message, but a large number of electrons
> were terribly inconvenienced
>
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> End of Ifeffit Digest, Vol 130, Issue 13
> ****************************************
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-- 
Satty
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