MetaboLab is a software package for NMR processing written in MATLAB, deployed in compiled form for the Apple OSX, Linux and Windows platforms, currently developed at the University of Birmingham. 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. A simple interface is available to set up processing parameters. The current version supports Bruker and Varian file formats.

 

MetaboLab 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.

 

See the following references for more details:

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M. Jeeves, J. Roberts, C - Optimised collection of non‐uniformly sampled 2D‐HSQC NMR spectra for use in metabolic flux analysis. Magn Reson Chem. 2020; 1-13.

 

T.B. Smith, K. Patel, H. Munford. A.C. Peet, D.A. Tennant, M. Jeeves, C. Ludwig - High-Speed Tracer Analysis of Metabolism (HS-TrAM). [version 2; referees: 1 approved, 3 approved with reservations]. Wellcome Open Res 2018, 3:5 (doi: 10.12688/wellcomeopenres.13387.2)

 

M. Chong, A. Jayaraman, S. Marin, V. Selivanov, P.R. de Auturi Carla, D.A. Tennant, M. Cascante, U.L. Günther, C. Ludwig - Combined Analysis of NMR and MS Spectra (CANMS). Angewandte Chemie - International Edition, 56(15), 4140-4144 (2017).

 

C. Ludwig and U. Günther - MetaboLab - advanced NMR data processing and analysis for metabolomics. BMC Bioinformatics, 12, 366, (2011).

 

U.L. Günther, C. Ludwig, H. Rüterjans - NMRLAB - Advanced NMR Data Processing in Matlab. J Magn Reson, 145(2), 201-208 (2000)

 

U.L. Günther, C. Ludwig, H. Rüterjans - WAVEWAT—Improved Solvent Suppression in NMR Spectra Employing Wavelet Transforms. J Magn Reson, 156(1), 19-25 (2002).

 

The software can be downloaded here:

 

for Apple OSX operating system (click to see version)

 

for Linux operating system (click to see version)

 

for Microsoft Windows operating system (click to see version)

 

When the software is run for the first time after installing the software, a window will pop-up to tell the user that the license file could not be found. Please click on “Request License” and send the network card specific string to C.Ludwig “at” bham.ac.uk

 

Please also initial and sign the license agreement and send this to the same email, if you haven’t done this before.  If the license file does not open, click here.

 

After retrieval of the license string, you can enter the license string next time you start the software.

 

Each graphical user interface has it's own help button, which will provide context sensitive help. There is also the HelpCentre, which provides access to all help files.