WSEAS Transactions on Systems and Control
Print ISSN: 1991-8763, E-ISSN: 2224-2856
Volume 15, 2020
Peak Estimation of Univariate Spectraby the Best L1 Piecewise Monotonic Approximation Method
Authors: ,
Abstract: We consider applications of the best L1 piecewise monotonic approximation method for the peak estimation of three sets of up to 2500 measurements of Raman, Infrared and Nuclear Magnetic Resonance (NMR) spectra. Peak estimation is an inherent problem of spectroscopy. The location of peaks and their intensities are the signature of a sample of an organic or an inorganic compound. The diversity and the complexity of our measurements makes it a difficult test of the effectiveness of the method. We find that the method identifies efficiently peaks and we compare to the results obtained by the analogous least squares calculations. These results have many similarities and occasionally considerable differences due to both properties of the norms employed in the optimization calculations and nature of the spectra. Our results may be helpful to subject analysts as part of the information on which decisions will be made for estimating peaks in sequences of spectra and to the development of new algorithms that are particularly suitable for peak estimation calculations.
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Keywords: data approximation, diiodothyronine, first differences, infrared, least squares, L1-norm, nuclear magnetic resonance, peak estimation, piecewise monotonic, Raman, spectroscopy, sulfonium deuterated, zircon
Pages: 477-489
DOI: 10.37394/23203.2020.15.48