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Comparison and Development of Absorption Peak Determination Algorithms for Wavelength Standards

Published

Author(s)

C. J. Zhu, Leonard M. Hanssen

Abstract

Several peak determination algorithms are described and compared using the spectra of a NIST wavelength / wavenumber standard reference material (SRM). These methods are the (1) centroid (or center of gravity) (with fraction value 0.5), (2) extrapolated centroid, (3) extrapolated bisecting, (4) polynomial curve fit, and (5) absolute maximum (minimum) methods. Comparisons are made of the peak wavelength value accuracy and reproducibility, versatility and other aspects of the peak determination methods. Optimization studies of the centroid, extrapolated centroid and extrapolated bisecting peak determination methods, used for several NIST SRM's, have found that the peak value accuracy and precision can be improved by careful selection of peak fraction, spectral data density and polynomial fitting order (for extrapolated algorithms).
Proceedings Title
Optical Diagnostic Methods for Inorganic Materials, Conference | 2nd | Optical Diagnostic Methods for Inorganic Materials II | SPIE
Conference Dates
August 3-4, 2000
Conference Title
Proceedings of SPIE--the International Society for Optical Engineering

Keywords

centroid or center of gravity, extrapolated bisecting, extrapolated centroid, FT-IR, IR, NIR, peak determination method, peak maxima or minima, polynomial curve fit wavelength or waven

Citation

Zhu, C. and Hanssen, L. (2000), Comparison and Development of Absorption Peak Determination Algorithms for Wavelength Standards, Optical Diagnostic Methods for Inorganic Materials, Conference | 2nd | Optical Diagnostic Methods for Inorganic Materials II | SPIE (Accessed May 23, 2024)

Issues

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Created October 1, 2000, Updated February 17, 2017