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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1. Re: Ifeffit Digest, Vol 109, Issue 21 (KONG Quingyu) 2. Re: Ifeffit Digest, Vol 109, Issue 21 (Matt Newville)

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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>

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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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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)

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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