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Adaptive binning: an improved binning method for metabolomics data using the undecimated wavelet transform

Davis, R.A., Charlton, A.J., Godward, J., Jones, S.A., Harrison, M. and Wilson, J.C. (2007) Adaptive binning: an improved binning method for metabolomics data using the undecimated wavelet transform. Chemometrics and Intelligent Laboratory Systems, 85 (1). pp. 144-154. ISSN 0169-7439

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Abstract

Statistical analysis of metabolomic datasets can lead to erroneous interpretation of results due to misalignment of the data. Therefore pre-processing methods for peak alignment and data averaging (binning or bucketing) to improve data quality have been used. Here we introduce adaptive binning. The undecimated wavelet transform is used in an improved method for correcting variation in chemical shifts in nuclear magnetic resonance spectroscopy data. Adaptive binning using theoretical and metabolomics NMR spectra significantly increases the ratio of inter-class to intra-class variation and increases data interpretability when compared to conventional binning.

Item Type: Article
Institution: The University of York
Academic Units: The University of York > Chemistry (York)
Depositing User: York RAE Import
Date Deposited: 24 Jul 2009 13:17
Last Modified: 24 Jul 2009 13:17
Published Version: http://dx.doi.org/10.1016/j.chemolab.2006.08.014
Status: Published
Publisher: Elsevier
Identification Number: 10.1016/j.chemolab.2006.08.014
URI: http://eprints.whiterose.ac.uk/id/eprint/5878

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