1984/05/01 by Peter Gans, J. Bernard Gill · 3 citations
Chemistry · Mathematics · #Advanced Statistical Methods and Models #B-spline #Chemistry #Computational chemistry #Curve fitting #Gaussian #Mathematical analysis #Mathematics #Physics #Smoothing #Smoothing spline #Spectroscopy and Chemometric Analyses #Spline (mechanical) #Statistical and numerical algorithms #Statistics #Thermodynamics
paper · doi:10.1366/0003702844555511
openalex publication_date 1984/05/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/26
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.