Matt, Excellent start to a Model compounds XAFS library. How can I add data to this collection? I have collected ~50 reference spectra and would like to donate them to the world. I believe everyone in the XAFS community could benefit by sharing of reference spectra with one another and I would like to do my part. Do you have a page that I could enter the spectra info and upload the data? Or would it be better to create a spreadsheet with the spectra info and zip up all raw spectra data? I am willing to format it in any form that works for you. Regards, Dave _________________________________ David Barton, PhD. The Dow Chemical Company Catalysis R&D 1776 Building Midland, MI 48674 USA
-----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Matt Newville Sent: Wednesday, August 17, 2005 10:27 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Cu oxides spectra
Marco (Scott),
There's CuO and Cu2O (and azurite) data available: http://cars9.uchicago.edu/~newville/ModelLib/search.html
The Cu2O there is from the Lytle database.
Reading data from the Lytle database is not always easy, but there is a FAQ entry about how to do this:
http://cars9.uchicago.edu/cgi-bin/ifeffit/faqwiz?req=show&file =faq03.004.htp
Hope that helps, --Matt _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi Dave,
Excellent start to a Model compounds XAFS library.
Well, actually it's close to a decade old. But it *is* still only a start. ;)
How can I add data to this collection? I have collected ~50 reference spectra and would like to donate them to the world. I believe everyone in the XAFS community could benefit by sharing of reference spectra with one another and I would like to do my part.
Do you have a page that I could enter the spectra info and upload the data? Or would it be better to create a spreadsheet with the spectra info and zip up all raw spectra data? I am willing to format it in any form that works for you.
Right now, you can just mail me the spectra and any information you have on them. I'd prefer them as column data of energy, xmu, and any other channels you might have (i0, a reference foil, etc), and in individual files rather than a spreadsheet. I think it's definitely worth looking into re-implementing this Model Data database. Looking at the code and data I have, I think this is definitely possible, and it does seem like it is time to revisit this idea. I think there are a few important features for such a database: - through-the-web uploading and annotaing of data, probably after 'logging on' (as with the FAQ). - simple visualization, even if just plotting mu(E). - link to crystallographic info. Say, an atoms.inp. - easy searching. - either "user comments" added by others (aka Amazon-style reviews) or some way to indicate that the data is "good". Does anyone else have thoughts or suggestions for such a database of model compound data? Is a database like this worth doing? Thanks, --Matt
Hi Matt: I think that it is a great idea. I would be willing to get some student help (in one way or another) to develop such a database. Carlo On Thu, 18 Aug 2005, Matt Newville wrote:
Hi Dave,
Excellent start to a Model compounds XAFS library.
Well, actually it's close to a decade old. But it *is* still only a start. ;)
How can I add data to this collection? I have collected ~50 reference spectra and would like to donate them to the world. I believe everyone in the XAFS community could benefit by sharing of reference spectra with one another and I would like to do my part.
Do you have a page that I could enter the spectra info and upload the data? Or would it be better to create a spreadsheet with the spectra info and zip up all raw spectra data? I am willing to format it in any form that works for you.
Right now, you can just mail me the spectra and any information you have on them. I'd prefer them as column data of energy, xmu, and any other channels you might have (i0, a reference foil, etc), and in individual files rather than a spreadsheet.
I think it's definitely worth looking into re-implementing this Model Data database. Looking at the code and data I have, I think this is definitely possible, and it does seem like it is time to revisit this idea.
I think there are a few important features for such a database: - through-the-web uploading and annotaing of data, probably after 'logging on' (as with the FAQ). - simple visualization, even if just plotting mu(E). - link to crystallographic info. Say, an atoms.inp. - easy searching. - either "user comments" added by others (aka Amazon-style reviews) or some way to indicate that the data is "good".
Does anyone else have thoughts or suggestions for such a database of model compound data? Is a database like this worth doing?
Thanks,
--Matt
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
participants (3)
-
Barton, David (DG) -
Carlo Segre -
Matt Newville