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Open Access Research article

Improved classification accuracy in 1- and 2-dimensional NMR metabolomics data using the variance stabilising generalised logarithm transformation

Helen M Parsons1, Christian Ludwig2, Ulrich L Günther2 and Mark R Viant13*

Author Affiliations

1 Centre for Systems Biology, The University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK

2 The Henry Wellcome Building for Biomolecular NMR Spectroscopy, The University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK

3 School of Biosciences, The University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK

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BMC Bioinformatics 2007, 8:234  doi:10.1186/1471-2105-8-234

Published: 2 July 2007

Additional files

Additional file 1:

Bin variance versus bin intensity of the technical replicates for (A) 1D mussel data; (B) pJRES dog data; (C) JRES fish data. Some low intensity bins (predominantly noise) can be seen to the left of the plots which exhibit similar variance levels; however a more linear relationship can be seen in the medium and high intensity bins.

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Open Data

Additional file 2:

Optimisation code.

Format: ZIP Size: 7KB Download file

Open Data