Barton, Sinead and Ward, Tomas E. and Hennelly, Bryan M. (2018) Algorithm for optimal denoising of Raman spectra. Analytical Methods, 10 (30). pp. 3759-3769. ISSN 1759-9660

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Abstract

Raman spectroscopy has been demonstrated to have diagnostic potential in areas such as urine and cervical cytology, whereby different disease groups can be classified based on subtle differences in the cell or tissue spectra using various multi-variate statistical classification tools. However, Raman scattering is an inherently weak process, which often results in low signal to noise ratios, thus limiting the method’s diagnostic capabilities under certain conditions. A common approach for reducing the experimental noise is Savitzky-Golay smoothing. While this method is effective in reducing the noise signal, it has the undesirable effect of smoothing the underlying Raman features, compromising their discriminative utility. Maximum Likelihood Estimation is a method for estimating the parameters of a statistical model given an available dataset and a priori knowledge of the model type. In this paper, we demonstrate how Savitzky-Golay smoothing may be enhanced with Maximum Likelihood Estimation in order to prevent significant deviation from the ‘true’ Raman signal yet retain the robust smoothing properties of the Savitzky-Golay filter. The algorithm presented here is demonstrated to have a lower impact on Raman spectral features at known spectral peaks while providing superior denoising capabilities, when compared with established smoothing algorithms; artificially noised databases and experimental data are used to evaluate and compare the performance of the algorithms in terms of the signal to noise ratio. The proposed method is demonstrated to typically provide at least a 50% increase in the signal to noise ratio when compared to the raw data, and consistently out-performs two alternative smoothing filters.

Item Type:	Article
Additional Information:	This research was conducted with the financial support of the Irish Research Council (IRC) under project ID GOIPG/2013/1434 and Science Foundation Ireland (SFI) under Grant Number 15/ CDA/3667. I would like to thank the IRC and SFI for their support. This is the postprint version of the published article, which is available at Barton S.;Ward T.;Hennelly B. (2018) 'Algorithm for optimal denoising of Raman spectra'. Analytical Methods, 10 (30):3759-3769.
Keywords:	Algorithm; optimal; denoising; Raman spectra;
Academic Unit:	Faculty of Science and Engineering > Computer Science Faculty of Science and Engineering > Electronic Engineering
Item ID:	13130
Identification Number:	https://doi.org/10.1039/C8AY01089G
Depositing User:	Dr. Bryan Hennelly
Date Deposited:	22 Jul 2020 13:58
Journal or Publication Title:	Analytical Methods
Publisher:	Royal Society of Chemistry
Refereed:	Yes
Funders:	Irish Research Council (IRC), Science Foundation Ireland (SFI)
URI:	Publisher
Use Licence:	This item is available under a Creative Commons Attribution Non Commercial Share Alike Licence (CC BY-NC-SA). Details of this licence are available here

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