[Ifeffit] Cu oxides spectra
newville at cars.uchicago.edu
Thu Aug 18 23:03:31 CDT 2005
> 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
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
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