[Ifeffit] Large XAFS data sets

Matt Newville newville at cars.uchicago.edu
Thu Apr 26 16:04:59 CDT 2012


Hi Dean,

On Thu, Apr 26, 2012 at 12:39 PM, Dean Hesterberg <sscdlh at ncsu.edu> wrote:
> Hi Matt,
>
> Regarding ifeffit2, another application that would benefit from
> linear combination fitting on thousands or tens of thousands of
> spectra is in micro/nano-XANES (micro/nano-EXAFS) spatial
> imaging. In the case of heterogeneous samples (e.g., geochemical
> samples),  principal component analysis (PCA) and target factor
> analysis (TFA) would be valuable statistical tools to apply to such
> large datasets.

Thanks -- I completely agree.  We absolutely need to analyze spatial
micro-XANES spectra with linear algebra tools.

I think the basic tools for this are available, and that doing the
actual coding would not be too difficult.  I'm hopeful that this will
happen soon!

Cheers,

--Matt




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