Automatic spectra interpretation methods (e. g. pattern recognition methods for the interpretation of mass spectra) should be characterized by suitable criteria of quality. These criteria may be obtained by testing interpretation methods with a random sample of spectra, but should be independent from probabilities of classes in this sample, or should refer to a sample with equal probabilities of classes. In this paper, mathematical formulae for such objective criteria of quality are given. For example, individual predictive abilities for the classes and maximum information are appropriate to characterize and compare interpretation methods from different authors.
展开▼
