Journal
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Volume 179, Issue -, Pages 82-84Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemolab.2018.06.009
Keywords
Modified Z-scores; Data processing; Raman spectra; Despiking
Categories
Funding
- Pharmaceutical Manufacturing Technology Centre (PMTC) under Enterprise Irelands (EI) - Technology Centres Programme [TC 2013 0014]
- European Regional Development Fund (ERDF) under Ireland's European Structural and Investment Funds Programmes
Ask authors/readers for more resources
Raman Spectroscopy is a widely used analytical technique, favoured when molecular specificity with minimal sample preparation is required. The majority of Raman instruments use charge-coupled device (CCD) detectors, these are susceptible to cosmic rays and as such multiple spurious spikes can occur in the measurement. These spikes are problematic as they may hinder subsequent analysis, particularly if multivariate data analysis is required. In this work we present a new algorithm to remove these spikes from spectra after acquisition. Specifically, our algorithm uses modified Z scores calculated from the once-differenced detrended spectrum to locate the offending spikes, followed by a simple moving average to remove them. The algorithm is very simple and its execution is essentially instantaneous, resulting in spike-free spectra with minimal distortion of actual Raman data. The presented algorithm represents an improvement on existing spike removal methods by utilising simple, easy to understand mathematical concepts, making it ideal for experts and non-experts alike.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available