An IBM PC Based Computer Program for the Analysis of Infrared Spectra

Abstract

A computerized infrared interpreter has been developed on an IBM personal computer (PC) running under the Microsoft disk operating system (DOS). Based on the original Merck Sharp & Dhome Research Laboratory Program for the Analysis of InfRared Spectra (PAIRS), this infrared interpreter, PC PAIRS+, is capable of analyzing infrared spectra measured from a wide variety of spectrophotometers. Modifications to PAIRS now allow the application of both artificial intelligence and library searching techniques in the program. A new algorithm has been devised to combine the results from the library searching and the PAIRS program to enhance the dependability of interpretational data. The increased capability of this infrared interpreter along with its applicability on a personal computer results in a powerful, general-purpose, and easy-to-use infrared interpretation system. Applications of PC PAIRS+ on petrochemical samples are described.