Visual and Automatic Spectral Analysis Using a Small Digital Computer
- 1 November 1975
- journal article
- research article
- Published by SAGE Publications in Applied Spectroscopy
- Vol. 29 (6) , 493-496
- https://doi.org/10.1366/000370275774455608
Abstract
A small computer, forming part of an NMR Fourier transform spectroscopy installation, has been programmed to analyze spectra consisting of overlapping lines such as are obtained from quadrupolar nuclei or in Raman spectroscopy. A rough visual fit to the data, which is displayed on an oscilloscope, is obtained by manual insertion of parameters and the fit is refined automatically using a sequential direct search method, thus eliminating the tedious stage of manual refinement. The equipment has proved easy and convenient to use.Keywords
This publication has 12 references indexed in Scilit:
- Computer-Aided Visual Spectrum AnalysisApplied Spectroscopy, 1972
- Computer analysis of unresolved nonGaussian gas chromatograms by curve-fittingAnalytical Chemistry, 1970
- Detection and resolution of overlapped peaks for an on-line computer system for gas chromatographsAnalytical Chemistry, 1969
- Computer-assisted gas-liquid chromatographyAnalytical Chemistry, 1969
- Analyse mathématique de spectres ir par calcul automatique: I. Influence d'erreurs simulées sur la ligne de base dans la décomposition en bandes simples de spectres complexes non résolus, dans la région v(OH)Journal of Molecular Structure, 1968
- On determining spectral peak positions from composite spectra with a digital computerAnalytical Chemistry, 1968
- A COMPARISON OF OPTIMIZATION METHODS FOR FITTING CURVES TO INFRARED BAND ENVELOPESCanadian Journal of Chemistry, 1966
- Copper(II) as an Analytical Oxidant in Acetonitrile.Analytical Chemistry, 1966
- NMR Spectrum of 3-Chlorothietane, an Example of Complete NMR Spectral Analysis by Computer TechniquesThe Journal of Chemical Physics, 1966
- A Simplex Method for Function MinimizationThe Computer Journal, 1965