The following is an abstract for the selected article. A PDF download of the full text of this article is available here. Members may download full texts at no charge. Non-members may be charged a small fee for certain articles.

Methodology for Evaluating and Optimizing Infrared Interpretations

Volume 40, Number 3 (April 1986) Page 344-348

Saperstein, David D.

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.