Up until now it was not possible to automate the interpretation of spectra in which both frequencies and intensities contain (chemical) information. If the possibility of shifting peaks exist, pointwise comparisons of intensities at specific wavelengths is no longer adequate because wrong peaks could easily be compared. We show that with a suitable fitness function, which is generally applicable, spectra with shifted peaks can be solved using a standard GA. The method is very robust and illustrated using laser induced fluorescence spectra taken from Indole, Benzimidazole and 4-Aminobenzonitrile.
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