Library Retrieval of Infrared Spectra Based on Detailed Intensity Information

Abstract

Infrared spectral searches which rely on detailed intensity information and those based on peak position information are compared using a library of 500 reference spectra. Spectra with detailed intensity information are encoded with absorbance values for 200 resolution increments spanning the range from 4000 to 200 cm−1. Three different distance metrics are evaluated for searches using intensity information, and the effects of selecting data from limited regions of the infrared spectrum are examined.