On 29/01/2009, ifeffit-request@millenia.cars.aps.anl.gov <ifeffit-request@millenia.cars.aps.anl.gov> wrote:

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Today's Topics:

  1. Trouble with fitting with Artemis (Juraci A. Sampaio)
  2. Re: Trouble with fitting with Artemis (Richard Mayes)
  3. about Farrel Lytle data of Na2WO4.2H2O (Yordy Licea Fonseca)
  4. Re: about Farrel Lytle data of Na2WO4.2H2O (Matt Newville)
  5. uncertainty in linear combination analysis (Pushan Shah)
  6. Artemis parameters (abhijeet gaur)
  7. Energy shift (Eugenio Otal)

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Message: 1
Date: Wed, 28 Jan 2009 15:34:55 -0300
From: "Juraci A. Sampaio" <jasampaio@hotmail.com>
Subject: [Ifeffit] Trouble with fitting with Artemis
To: <ifeffit@millenia.cars.aps.anl.gov>
Message-ID: <COL107-W60310E438349CE1C72988AACC80@phx.gbl>
Content-Type: text/plain; charset="iso-8859-1"

Hi there!I'm getting the following message when I try to fit my data:WARNING.  The following variables had no effect on the fit:  !!  >> amp                                                       !!  >> enot                                                      !!  >> delr                                                      !!  >> ss The data that I am trying to fit is the Cu metal example that come with the iffefit package. I am running Artemis on a Mac, OSX 10.4.11.I could run the fitting on a mac OSX 10.5 and it worked fine. I reinstall the IXAFS package but it didn't work.I am wondering what could be wrong with my machine/software?Thanks a lot.Juraci Sampaio
_________________________________________________________________
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Message: 2
Date: Wed, 28 Jan 2009 14:29:58 -0500
From: Richard Mayes <rtmayes@gmail.com>
Subject: Re: [Ifeffit] Trouble with fitting with Artemis
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Message-ID:
       <5a2a54820901281129n2b0d8fc4ib02a2ed2faeca8c5@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Juraci,

Can you please attach a project file so we can look at it and try to find
the problem.  My first guess would be the parameters are not defined in the
"guess,def,set" page like they are in the path list but without seeing the
project file, it's hard to be specific.

-Rich

On Wed, Jan 28, 2009 at 1:34 PM, Juraci A. Sampaio <jasampaio@hotmail.com>wrote:

>  Hi there!
>
> I'm getting the following message when I try to fit my data:
> WARNING.  The following variables had no effect on the fit:
> !!  >> amp
> !!  >> enot
> !!  >> delr
> !!  >> ss
>
> The data that I am trying to fit is the Cu metal example that come with the
> iffefit package. I am running Artemis on a Mac, OSX 10.4.11.
> I could run the fitting on a mac OSX 10.5 and it worked fine. I reinstall
> the IXAFS package but it didn't work.
>
> I am wondering what could be wrong with my machine/software?
>
> Thanks a lot.
>
>
> Juraci Sampaio
>
>
> ------------------------------
> Not?cias direto do New York Times, gols do Lance, videocassetadas e muitos
> outros v?deos no MSN Videos! Confira j?! <http://video.msn.com/?mkt=pt-br>
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
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Message: 3
Date: Wed, 28 Jan 2009 18:18:00 -0200
From: Yordy Licea Fonseca <yliceafonseca@gmail.com>
Subject: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID:
       <6bc7d27d0901281218t6eac4721o1922c155b95a1087@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi,

Sorry, I could not find enough information.
Would any of you tell me, please, how is the EXAFS data tabulated in Farrel
Lytle data base?
The first column is the energy, what about others?
I would like to obtain the absorption coefficient vs energy from this
file:

http://ixs.csrri.iit.edu/data/Farrel_Lytle_data/RAW/W/wna.095

Best wishes,

--
Yordy E. Licea Fonseca
Departamento de F?sico-Qu?mica
Instituto de Qu?mica-IQ/UFRJ
Laborat?rio de Cat?lise Heterog?nea
Rio de Janeiro, RJ, CEP 21.949-909
Brasil
Email: yliceafonseca@gmail.com
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Message: 4
Date: Wed, 28 Jan 2009 14:24:22 -0600
From: Matt Newville <newville@cars.uchicago.edu>
Subject: Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Message-ID:
       <b8522e3d0901281224v42f22a8cs6489a5792c4588f0@mail.gmail.com>
Content-Type: text/plain; charset=ISO-8859-1

Hi Yordy,

The first column for that file is not energy, it is angular steps.   See
   http://cars9.uchicago.edu/ifeffit/FAQ/Data_Handling#head-e7e2389af58d378379f3bbe2a827c73a6df2a42e

and the other posts from earlier today for how to convert this data into mu(E).

--Matt

On Wed, Jan 28, 2009 at 2:18 PM, Yordy Licea Fonseca
<yliceafonseca@gmail.com> wrote:
> Hi,
>
> Sorry, I could not find enough information.
> Would any of you tell me, please, how is the EXAFS data tabulated in Farrel
> Lytle data base?
> The first column is the energy, what about others?
> I would like to obtain the absorption coefficient vs energy from this
> file:
>
> http://ixs.csrri.iit.edu/data/Farrel_Lytle_data/RAW/W/wna.095
>
> Best wishes,
>
> --
> Yordy E. Licea Fonseca
> Departamento de F?sico-Qu?mica
> Instituto de Qu?mica-IQ/UFRJ
> Laborat?rio de Cat?lise Heterog?nea
> Rio de Janeiro, RJ, CEP 21.949-909
> Brasil
> Email: yliceafonseca@gmail.com
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>

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

Message: 5
Date: Thu, 29 Jan 2009 13:33:08 +1100
From: "Pushan Shah" <pshah@gse.mq.edu.au>
Subject: [Ifeffit] uncertainty in linear combination analysis
To: <ifeffit@millenia.cars.aps.anl.gov>
Message-ID: <4981B014.0BBD.0060.0@gse.mq.edu.au>
Content-Type: text/plain; charset=US-ASCII

Hello Everyone!

How can I estimate an uncertainty in linear combination analysis and calculate them in percentage error?

Many thanks,
Pushan

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Message: 6
Date: Thu, 29 Jan 2009 15:41:55 +0530
From: abhijeet gaur <abhijeetgaur9@gmail.com>
Subject: [Ifeffit] Artemis parameters
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID:
       <862a39070901290211s6a928d40yc902a09ff532f2a9@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi
    I am fitting a copper foil whose data is taken at room temperature. So
do I need to change the guess value of parameters enot, ss,amp, delr to some
other value or I should take them as the default guess value. Also what
should be the ideal fitting range in R for the copper foil.

With thanks

Abhijeet
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Message: 7
Date: Thu, 29 Jan 2009 11:00:32 -0200
From: Eugenio Otal <eugenioh@gmail.com>
Subject: [Ifeffit] Energy shift
To: ifeffit@millenia.cars.aps.anl.gov
Message-ID:
       <da22ad30901290500s14de8d2dy4cbaf8ec693e6796@mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"

Hi Matt,
Thanks for your time, the shift is between calculated and experiment. I
attach two figures with and without correction, it matchs really good if I
change 5.5eV the energy.
Thanks, euG
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