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A New Numerical Method for Automated Spectral Isolation of Component Substances in a Set of Mixtures
Author(s) -
Lin ChiHsiung,
Liu ShiChung
Publication year - 1978
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.197800029
Subject(s) - component (thermodynamics) , chemistry , spectral line , set (abstract data type) , biological system , function (biology) , component analysis , spectral analysis , analytical chemistry (journal) , chromatography , artificial intelligence , thermodynamics , computer science , spectroscopy , physics , quantum mechanics , astronomy , evolutionary biology , biology , programming language
A new numerical method for isolating component spectra from spectra of their mixtures is presented. The method searches the component spectra by optimizing a risk function which assigns a relative value for the risk to regard a spectral shape as that of a pure substance. No prior knowledge of the nature of existing components is required in the analysis. All components conceivable in the set of mixture spectra are simultaneously isolated.