Abstract
For the analysis of infrared spectroscopic bands and complex patterns partial cross correlation functions of a sample spectrum with reference spectra are calculated. The chosen ranges of the spectra are based on empirical knowledge of infrared spectrum structure correlations. The normalised maxima of the partial cross correlation functions are interpreted as fuzzy truth values and are combined by fuzzy logical operators. By application of that procedure larger common substructures will be derived from the reference spectra than by a maximum common substructure search based on the complete spectra.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Author information
Authors and Affiliations
Additional information
Received: 30 October 1996/Revised: 24 February 1997/Accepted: 26 February 1997
Rights and permissions
About this article
Cite this article
Ehrentreich, F. Derivation of substructures from infrared band shapes by fuzzy logic and partial cross correlation functions. Fresenius J Anal Chem 359, 56–60 (1997). https://doi.org/10.1007/s002160050535
Issue Date:
DOI: https://doi.org/10.1007/s002160050535