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NMRLab/Metabolab

NMR spectra processing using the NMRLab/Metabolab MATLAB package
U. Gunther, C. Ludwig (NMRLab/Metabolab), Martin A. Fitzpatrick (Pathomx plugin)

Introduction

NMRLab is NMR processing software package written in MATLAB. It contains of a series of processing algorithms for 1D, 2D and 3D processing including apodization functions, linear prediction, Fourier transformation, baseline correction. It also includes routines for wavelet denoising of spectra.

To use NMRLab/Metabolab you need a license available here. Please sign and date this license agreement, fax the document to the fax number indicated in the license document and send an email to C.Ludwig@@bham.ac.uk or U.L.Gunther@@bham.ac.uk to obtain a download username and password. Please also indicate for which software package you would like to obtain the password. Download and install NMRLab/Metabolab in MATLAB before using this plugin.

MetaboLab is an extension of NMRLab for metabolomics post-processing. It includes routines for Bruker and Varian data, including alignment tools, various scaling algorithms (autoscale, Pareto scaling and glog transform), graphical selection of exclusion regions, bucketing, wavelet de-noising algorithms and links to PCA and PLS algorithms.

This plugin is a wrapper interface to a selection of the tools offered by both NMRLab and Metabolab. Use of this plugin requires an installation and license for Matlab and NMRLab/Metabolab. You can download NMRLab/Metabolab from here.

References

  1. U.L. Günther, C. Ludwig, H. Rüterjans NMRLAB - Advanced NMR Data Processing in Matlab. J Magn Reson, 145(2), 201-208 (2000)
  2. C. Ludwig and U. Günther MetaboLab - advanced NMR data processing and analysis for metabolomics. BMC Bioinformatics, 12, 366, (2011)
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