Hi Dean,
On Thu, Apr 26, 2012 at 12:39 PM, Dean Hesterberg
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