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@millenia.cars.aps.anl.gov> wrote:
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
        ifeffit-request@millenia.cars.aps.anl.gov

You can reach the person managing the list at
        ifeffit-owner@millenia.cars.aps.anl.gov

When replying, please edit your Subject line so it is more specific
than "Re: Contents of Ifeffit digest..."


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@gmail.com>
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Athena 0.9.18.2 deglitch option
Message-ID:
        <CABVfawmnabGT=S+iEwy-1bv0f6jSLRQc9gga+hSg0KjmaE5Cdg@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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20131209/40ff56b6/attachment-0001.htm>

------------------------------

Message: 2
Date: Mon, 09 Dec 2013 13:52:48 -0500
From: Bruce Ravel <bravel@bnl.gov>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Athena 0.9.18.2 deglitch option
Message-ID: <52A61180.8070603@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@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@cars.uchicago.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Athena 0.9.18.2 deglitch option
Message-ID:
        <CA+7ESboD5eqVU+9az2K2tnuW6mqj6aQhVz0yibpGvEsC0DntRQ@mail.gmail.com>
Content-Type: text/plain; charset=ISO-8859-1

On Mon, Dec 9, 2013 at 12:24 PM, Sathish Mayanna <satty334@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@anl.gov>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Itinerant vs localized XAFS
Message-ID: <18769EC26267804994114D3AB31493CD24F8C98A@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@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Maurits Boeije
Sent: Monday, December 09, 2013 9:03 AM
To: 'ifeffit@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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20131209/623dc891/attachment.htm>

------------------------------

_______________________________________________
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit


End of Ifeffit Digest, Vol 130, Issue 13
****************************************



--
Satty