Re: [Ifeffit] Ifeffit Digest, Vol 109, Issue 23

31 Mar 2012

      Hi
if I can add my two cent...(of EURO)

At the ESRF for this kind of studies some work has been done.

There is the module XAID  of the code XOP wrote by Manuel Sanchez del Rio
http://www.esrf.eu/computing/scientific/xop2.1/documentation.html
It is written in IDL from scratch.
It have normalization and linear combination fit features, it is fully
graphically interfaced
 and in terms of performances is quite impressive.
However, the program has a complicate structure that could difficult at the
first approach
(but Manuel is very kind, don't hesitate  to contact him  ).

Otherwise  there is the code PrestoPronto.
code.google.com/p/*prestopronto*/
It is mainly a fully graphic python  wrapping of ifeffit for sequential
analysis.
In terms of speed is very similar to Athena but it do automatically the
tricks of cleaning memory
But it is still a very young code......
It still has not any interface to linear combination analysis.
We never tested for more than 1000.. spectra

Probably Mark Newton  could give you some more suggestions
Regards
Lello

On Sat, Mar 31, 2012 at 7:00 PM,
wrote:
...
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Today's Topics:
1. Re: Ifeffit Digest, Vol 109, Issue 21 (KONG Quingyu)
  2. Re: Ifeffit Digest, Vol 109, Issue 21 (Matt Newville)
----------------------------------------------------------------------
Message: 1
Date: Fri, 30 Mar 2012 18:32:49 +0000
From: KONG Quingyu 
To: "ifeffit@millenia.cars.aps.anl.gov"

Subject: Re: [Ifeffit] Ifeffit Digest, Vol 109, Issue 21
Message-ID:
       <
30F62EE734A9EA45A3F211513CB6200324BD1922@SUN-DAG1.synchrotron-soleil.fr>
Content-Type: text/plain; charset="iso-8859-1"
Thank you for all your helpful suggestions.
Actually, our beamline has recently installed a fast detector with a
repetation of 20KHz, which could collected data in a time resolution of few
tens of microsecond and could easily produce a large amount of data. We
have already accepted three users for microsecond time resolved studies,
each of them collected millions of spectra.
Together with the company that provide the detector and our software
engineer we started to write a Python program to treat the data from
November last year, however our engineer quitted recently, this make us to
look for other solutions.
If Demeter would works well for large amount of data treatment, it would
be great. As I know ID24 at ESRF has also installed the same detector and
would probably have similar demanding for such a program.
Probably due to the limited memory of my pc, I can only open around 200
spectra simultanously with Athena.
Best,
Qingyu Kong
Beamline ODE
Soci?t? civile Synchrotron SOLEIL
L'Orme des Merisiers
Saint-Aubin - BP 48
91192 GIF-sur-YVETTE CEDEX
Tel: +33 (0)1 69 35 97 84 (office)
     +33 (0)1 69 35 97 16 (beamline)
email: kong@synchrotron-soleil.fr
________________________________________
From: ifeffit-bounces@millenia.cars.aps.anl.gov [
ifeffit-bounces@millenia.cars.aps.anl.gov] on behalf of
ifeffit-request@millenia.cars.aps.anl.gov [
ifeffit-request@millenia.cars.aps.anl.gov]
Sent: Friday, March 30, 2012 3:29 PM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 109, Issue 21
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Today's Topics:
1. delr and ss parameterization (Ebrahim Rezaei)
  2. program (KONG Quingyu)
  3. Re: program (Carlo Segre)
  4. Re: program (Matt Newville)
  5. Re: delr and ss parameterization (Bruce Ravel)
  6. Re: program (Bruce Ravel)
----------------------------------------------------------------------
Message: 1
Date: Thu, 29 Mar 2012 21:57:21 -0700 (PDT)
From: Ebrahim Rezaei 
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] delr and ss parameterization
Message-ID:
       <1333083441.66190.YahooMailClassic@web120501.mail.ne1.yahoo.com>
Content-Type: text/plain; charset="utf-8"
Hi everyone,
I am working with bulk and nano structures of MnO, MnO2
and Mn2O3. I have two questions regarding how to
parameterize delr and ss in Artemis.
It is recommended to
use either delr=alfa*Reff or relate it to unit cell structure. Can anybody
tell
me how to do the second approach?
Also is that a good idea to let all ss to float? Or it should
be constrained based on type and distance of atoms? I have seen an example
about ZnO just letting the first two shell?s ss to float and let the rest
to be
the same. I would appreciate it very much if anybody could help me with
this too.
Regards,
Ebrahim Rezaei
PhD Candidate, Chem. Eng. Dep., University of Saskatchewan
Saskatoon, SK, Canada

Re: [Ifeffit] Ifeffit Digest, Vol 109, Issue 23

Carmelo Prestipino