[Ifeffit] about Farrel Lytle data of Na2WO4.2H2O

Yordy Licea Fonseca yliceafonseca at gmail.com
Thu Jan 29 11:01:52 CST 2009


Hi Carlo and Ma


On 29/01/2009, ifeffit-request at millenia.cars.aps.anl.gov <
ifeffit-request at 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)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Wed, 28 Jan 2009 15:34:55 -0300
> From: "Juraci A. Sampaio" <jasampaio at hotmail.com>
> Subject: [Ifeffit] Trouble with fitting with Artemis
> To: <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <COL107-W60310E438349CE1C72988AACC80 at 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
> _________________________________________________________________
> Confira v?deos com not?cias do NY Times, gols direto do Lance,
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> ------------------------------
>
> Message: 2
> Date: Wed, 28 Jan 2009 14:29:58 -0500
> From: Richard Mayes <rtmayes at gmail.com>
> Subject: Re: [Ifeffit] Trouble with fitting with Artemis
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID:
>        <5a2a54820901281129n2b0d8fc4ib02a2ed2faeca8c5 at 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 at 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 at millenia.cars.aps.anl.gov
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> >
> >
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> ------------------------------
>
> Message: 3
> Date: Wed, 28 Jan 2009 18:18:00 -0200
> From: Yordy Licea Fonseca <yliceafonseca at gmail.com>
> Subject: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
>        <6bc7d27d0901281218t6eac4721o1922c155b95a1087 at 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 at gmail.com
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> ------------------------------
>
> Message: 4
> Date: Wed, 28 Jan 2009 14:24:22 -0600
> From: Matt Newville <newville at cars.uchicago.edu>
> Subject: Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID:
>        <b8522e3d0901281224v42f22a8cs6489a5792c4588f0 at 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 at 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 at gmail.com
> >
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at 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 at gse.mq.edu.au>
> Subject: [Ifeffit] uncertainty in linear combination analysis
> To: <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <4981B014.0BBD.0060.0 at 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
>
>
>
>
>
>
> ------------------------------
>
> Message: 6
> Date: Thu, 29 Jan 2009 15:41:55 +0530
> From: abhijeet gaur <abhijeetgaur9 at gmail.com>
> Subject: [Ifeffit] Artemis parameters
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
>        <862a39070901290211s6a928d40yc902a09ff532f2a9 at 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 at gmail.com>
> Subject: [Ifeffit] Energy shift
> To: ifeffit at millenia.cars.aps.anl.gov
> Message-ID:
>        <da22ad30901290500s14de8d2dy4cbaf8ec693e6796 at 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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-- 
Yordy E. Licea Fonseca
Departamento de Físico-Química
Instituto de Química-IQ/UFRJ
Laboratório de Catálise Heterogênea
Rio de Janeiro, RJ, CEP 21.949-909
Brasil
Email: yliceafonseca at gmail.com
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