Barton, Sinead, 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 |
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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: | 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) |
Related URLs: | |
URI: | https://mu.eprints-hosting.org/id/eprint/13130 |
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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