Advantages of Transform Methods in Chemistry

  • Alan G. Marshall


Transform techniques offer three main advantages for chemists. First, transform techniques provide a variety of simple procedures for manipulating digitized data: smoothing or filtering to enhance signal-to-noise ratio; resolution enhancement (via either narrower line width or more points per line width); changing spectral line shapes (as from Lorentzian to Gaussian); generation of a dispersion spectrum from an absorption spectrum; generation of integrals or derivatives; and clipping to reduce data storage requirements. Second, Fourier methods can be used to remove any known irregularities in the excitation waveform, so that the corrected (“deconvoluted”) response reflects only the properties of the sample, and not the effect of the measuring instrument. Third, “coded” or “multiplex” detection, followed by Fourier or Hadamard “decoding” can offer a multiplex or Feilgett advantage of up to \(\sqrt N\) in signal-to-noise ratio (or 1/N in time) compared to a scanning instrument, where N is the number of data points in the frequency spectrum.


Transform Method Nyquist Frequency Resolution Enhancement Magnitude Spectrum Causal Function 
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Copyright information

© Springer Science+Business Media New York 1982

Authors and Affiliations

  • Alan G. Marshall
    • 1
  1. 1.Departments of Chemistry and BiochemistryThe Ohio State UniversityColumbusUSA

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