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Hey all--

I've noticed that many metabolomics papers use principal components analysis of the data, involving spectral binning of the spectra. I've seen that Chenomx, AMIX (from Bruker), and the ChemoSpectra package for R can all do it. Does anyone have a preferred method? Any other software besides the ones I've listed? Any reasons for using one over another?



asked Jul 23 '12 at 13:47

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Asked: Jul 23 '12 at 13:47

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Last updated: Jul 23 '12 at 13:47

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