DERIVATION OF SUBSTRUCTURES FROM INFRARED BAND SHAPES BY FUZZY-LOGIC AND PARTIAL CROSS-CORRELATION FUNCTIONS

For the analysis of infrared spectroscopic bands and complex patterns partial cross correlation functions of a sample spectrum with referenc e spectra are calculated. The chosen ranges of the spectra are based o n empirical knowledge of infrared spectrum structure correlations. The normalised maxima of the partial cross correlation functions are inte rpreted as fuzzy truth values and are combined by fuzzy logical operat ors. By application of that procedure larger common substructures will be derived from the reference spectra than bq a maximum common substr ucture search based on the complete spectra.