With the use of spectral information, a means is reported for evaluating and optimizing infrared (IR) interpretations. A procedure is described for numerically estimating the spectral difference between the interpreted IR spectrum and a synthetic spectrum composed of the characteristic
subspectra of the functional groups in the interpretation. The expectation value assigned to each functional group by an interpreter can then be modified to minimize the estimated numerical differences and improve the quality of the interpretation.
IBM, General Products Division, San Jose, California 95193
Publication date: March 1, 1986
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The Society publishes the internationally recognized, peer reviewed journal, Applied Spectroscopy, which is available both in print and online. Subscriptions are included with membership or can be purchased by institutional or corporate organizations. Abstracts may be viewed free of charge. Previously published as Bulletin (Society for Applied Spectroscopy)