Computer Programs for Absorption Spectrophotometry

Brief descriptions are given of twenty two modular computer programs for performing the basic numerical computations of absorption spectrophotometry. The programs, written in Fortran IV for card input and output, are available from the National Research Council of Canada. The input and output formats are standardized to permit easy interfacing to yield more complex data processing systems. Though these programs were developed for ir spectrophotometry, they are readily modified for use with digitized visual and uv spectrophotometers. The operations covered include ordinate and abscissal unit and scale interconversions, ordinate addition and subtraction, location of band maxima and minima, smoothing and differentiation, slit function convolution and deconvolution, band profile analysis and asymmetry quantification, Fourier transformation to time correlation curves, multiple overlapping band separation in terms of Cauchy (Lorentz), Gauss, Cauchy-Gauss product, and Cauchy-Gauss sum functions and cell path length determination from fringe spacing analysis.