Date of Award

5-1-1984

Degree Type

Thesis

Degree Name

M.S.

Department

Department of Chemistry

First Advisor

G. Scott Owen

Abstract

The program, FFTRESOLVE, has been developed for the Apple II microcomputer to perform digital filtering and resolution of fused peaks. This program is based on the Fourier Transform (FT) operations. It uses the FAST FOURIER TRANSFORM (FFT) algorithm to transform the time-domain points to the frequency-domain points and vice versa. It uses the linear additivity property of the FT to fit models into the observed fused peak via the least-squares method. The most recent technique of deciding the point of demarcation between the signal frequencies and the noise frequencies has been implemented in the program. FFTRESOLVE has been successfully applied to some experimental data from the literature. It handles peak systems of Gaussian (e.g. chromatograms, UV-VIS spectra) or Lorentzian (e.g. NMR spectra) line shape.

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