- Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
by Yordy Licea Fonseca 29 Jan '09

29 Jan '09

Hi Carlo and Matt, Thank you very much for your help. Best wishes, Yordy On 29/01/2009, ifeffit-request(a)millenia.cars.aps.anl.gov < ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > > Send Ifeffit mailing list submissions to > ifeffit(a)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(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)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. 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(a)hotmail.com> > Subject: [Ifeffit] Trouble with fitting with Artemis > To: <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <COL107-W60310E438349CE1C72988AACC80(a)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, > videocassetadas e muito mais no MSN Video! > http://video.msn.com/?mkt=pt-br >

1 0

Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O
by Yordy Licea Fonseca 29 Jan '09

29 Jan '09

Hi Carlo and Ma On 29/01/2009, ifeffit-request(a)millenia.cars.aps.anl.gov < ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > > Send Ifeffit mailing list submissions to > ifeffit(a)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(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)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. 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(a)hotmail.com> > Subject: [Ifeffit] Trouble with fitting with Artemis > To: <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <COL107-W60310E438349CE1C72988AACC80(a)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, > videocassetadas e muito mais no MSN Video! > http://video.msn.com/?mkt=pt-br >

1 0

Re: [Ifeffit] Ifeffit Digest, Vol 71, Issue 32
by Juraci A. Sampaio 29 Jan '09

29 Jan '09

Hi Rich,I found out what was wrong. The extend path parameters in the paths tab was on. When I set it as off the fitting worked just fine.Thanks a lot for your help.Juraci> From: ifeffit-request(a)millenia.cars.aps.anl.gov> Subject: Ifeffit Digest, Vol 71, Issue 32> To: ifeffit(a)millenia.cars.aps.anl.gov> Date: Thu, 29 Jan 2009 07:00:40 -0600> > Send Ifeffit mailing list submissions to> ifeffit(a)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(a)millenia.cars.aps.anl.gov> > You can reach the person managing the list at> ifeffit-owner(a)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. 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(a)hotmail.com>> Subject: [Ifeffit] Trouble with fitting with Artemis> To: <ifeffit(a)millenia.cars.aps.anl.gov>> Message-ID: <COL107-W60310E438349CE1C72988AACC80(a)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, videocassetadas e muito mais no MSN Video!> http://video.msn.com/?mkt=pt-br> -------------- next part --------------> An HTML attachment was scrubbed...> URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090128/eb8… > > ------------------------------> > Message: 2> Date: Wed, 28 Jan 2009 14:29:58 -0500> From: Richard Mayes <rtmayes(a)gmail.com>> Subject: Re: [Ifeffit] Trouble with fitting with Artemis> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov>> Message-ID:> <5a2a54820901281129n2b0d8fc4ib02a2ed2faeca8c5(a)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(a)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(a)millenia.cars.aps.anl.gov>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit>>>>> -------------- next part --------------> An HTML attachment was scrubbed...> URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090128/7f5… > > ------------------------------> > Message: 3> Date: Wed, 28 Jan 2009 18:18:00 -0200> From: Yordy Licea Fonseca <yliceafonseca(a)gmail.com>> Subject: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O> To: ifeffit(a)millenia.cars.aps.anl.gov> Message-ID:> <6bc7d27d0901281218t6eac4721o1922c155b95a1087(a)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(a)gmail.com> -------------- next part --------------> An HTML attachment was scrubbed...> URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090128/cea… > > ------------------------------> > Message: 4> Date: Wed, 28 Jan 2009 14:24:22 -0600> From: Matt Newville <newville(a)cars.uchicago.edu>> Subject: Re: [Ifeffit] about Farrel Lytle data of Na2WO4.2H2O> To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov>> Message-ID:> <b8522e3d0901281224v42f22a8cs6489a5792c4588f0(a)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-e7e2389af58d378379…> > 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(a)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(a)gmail.com>>>> _______________________________________________>> Ifeffit mailing list>> Ifeffit(a)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(a)gse.mq.edu.au>> Subject: [Ifeffit] uncertainty in linear combination analysis> To: <ifeffit(a)millenia.cars.aps.anl.gov>> Message-ID: <4981B014.0BBD.0060.0(a)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(a)gmail.com>> Subject: [Ifeffit] Artemis parameters> To: ifeffit(a)millenia.cars.aps.anl.gov> Message-ID:> <862a39070901290211s6a928d40yc902a09ff532f2a9(a)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> -------------- next part --------------> An HTML attachment was scrubbed...> URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090129/bd2… > > ------------------------------> > Message: 7> Date: Thu, 29 Jan 2009 11:00:32 -0200> From: Eugenio Otal <eugenioh(a)gmail.com>> Subject: [Ifeffit] Energy shift> To: ifeffit(a)millenia.cars.aps.anl.gov> Message-ID:> <da22ad30901290500s14de8d2dy4cbaf8ec693e6796(a)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> -------------- next part --------------> An HTML attachment was scrubbed...> URL: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090129/a2f… > -------------- next part --------------> A non-text attachment was scrubbed...> Name: without energy shift.jpg> Type: image/jpeg> Size: 58982 bytes> Desc: not available> Url : http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090129/a2f… > -------------- next part --------------> A non-text attachment was scrubbed...> Name: energy shift.jpg> Type: image/jpeg> Size: 69194 bytes> Desc: not available> Url : http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20090129/a2f… > > ------------------------------> > _______________________________________________> Ifeffit mailing list> Ifeffit(a)millenia.cars.aps.anl.gov> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit> > > End of Ifeffit Digest, Vol 71, Issue 32> *************************************** _________________________________________________________________ Cansado de espaço para só 50 fotos? Conheça o Spaces, o site de relacionamentos com até 6,000 fotos! http://www.amigosdomessenger.com.br

1 0

Energy shift
by Eugenio Otal 29 Jan '09

29 Jan '09

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

2 1

Artemis parameters
by abhijeet gaur 29 Jan '09

29 Jan '09

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

2 1

uncertainty in linear combination analysis
by Pushan Shah 28 Jan '09

28 Jan '09

Hello Everyone! How can I estimate an uncertainty in linear combination analysis and calculate them in percentage error? Many thanks, Pushan

1 0

about Farrel Lytle data of Na2WO4.2H2O
by Yordy Licea Fonseca 28 Jan '09

28 Jan '09

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 Físico-Química Instituto de Química-IQ/UFRJ Laboratório de Catálise Heterogênea Rio de Janeiro, RJ, CEP 21.949-909 Brasil Email: yliceafonseca(a)gmail.com

2 1

Trouble with fitting with Artemis
by Juraci A. Sampaio 28 Jan '09

28 Jan '09

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 vídeos com notícias do NY Times, gols direto do Lance, videocassetadas e muito mais no MSN Video! http://video.msn.com/?mkt=pt-br

2 1

EXAFS data
by abhijeet gaur 28 Jan '09

28 Jan '09

Hi We have Farell Lytle type data. When we put that into ATHENA we get the Energy curve. But we are not able to extract that Energy converted data from ATHENA . We tried to import the data in ORIGIN but we could not do so though the graph was imported.So if there is any way to extract the data please let us know. Thanks Abhijeet

4 3

Energy shift
by Eugenio Otal 27 Jan '09

27 Jan '09

Hi all, I finished simulations of Er(OH)3, ErO(OH) and Er2O3, when I compared the spectras with the samples and I found a shift in energy equal to 5.5 eV.Even between the meassured and calculated spectra of Er2O3, which was previously calibrated with a niquel film standard. Is this shift part of the bussines? Thanks, euG

2 1