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eafit
2007 Mar 09
2
Deconvolution of a spectrum
...it is a possibility
to do it? First supposement is to use a nls() with very large functions,
and compare AIC value, but it is very difficult to suggest any starting
points for algotirithm.
Searching google I have found only a description of commercial software
for doing such deconvolution (Origin, PeakFit) without any information
about used algorithms. No ready-to-use function in any language.
I have tried to use a Mclust workaround for this problem, by generating a
large dataset for which the spectrum is a histogram and feed it into
the Mclust. The results seem to be serious, but this is very ugly...