The (r, Q) matrices—a tool for the manipulation of chromatographic patterns

Abstract

Many chromatographic analyses produce patterns, and in many instances individual patterns are superimposed on other patterns or on single peaks. To obtain information from such chromatograms, it is useful to invoke pattern recognition techniques that deconvolute the data. The first step towards successful techniques of pattern recognition is to develop an adequate description of the pattern. Two methods may be used. If the analytes and analytical techniques are sufficiently well known, ab initio techniques may be used to describe a pattern from theoretical considerations. The chromatographic analyses of petroleum fractions, flavours, fragrances and certain pesticides produce chromatograms that are not amenable to description from a theoretical basis. These chromatograms demand strictly empirical descriptions. Two pesticides, toxaphene and Strobane, were chosen as models for this work, because of their similarity under many chromatographic conditions.