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Smoothing and Differentiation of Spectroscopic Curves Using Spline Functions

1984; SAGE Publishing; Volume: 38; Issue: 3 Linguagem: Inglês

10.1366/0003702844555511

1943-3530

Peter Gans, J. Bernard Gill,

Advanced Statistical Methods and Models

The use of B-splines for smoothing and differentiation of spectroscopic curves has been investigated. The theory of B-splines and their use are outlined. For single Lorentzian and Gaussian curves, optimal spline functions of degrees 3–7 inclusive, based on symmetric arrangements of 5, 6, and 7 knots, have been computed. Various schemes for the automatic selection of knots used in fitting experimental curves have been investigated and some schemes have been applied to data obtained by Raman spectroscopy.