NMRLab

From NMR Wiki

project website: http://nmrlab.org.uk
authors: C.Ludwig and U. Günther
license: NMRLab
requirements: Matlab®

Overview

NMRLab [1] is general purpose NMR data processing software package based within the MATLAB envrionment. It provides access to standard NMR data processing algorithms (e.g. linear prediction) as well as to advanced methods (e.g. the wavelet based WAVEWAT [2] water suppression algorithm). Tools for processing large metabolomics data sets (ScriptBuilder, MetaboLab [3]) are available as a graphical user interface for semi automated analysis of HSQC data sets for metabolic flux analysis. The software currently supports Bruker (TopSpin) and Varian (vnmr) data format.
MATLAB scripts for NMR data line shape analysis (NMRKIN [4]) are available as well.
The software is free for academic use.

References

1. UL Günther, C Ludwig, H Rüterjans. NMRLAB - Advanced NMR Data Processing in Matlab{\textregistered}. Journal of Magnetic Resonance 145(2):201--208, 2000. BibTeX [nmrlab1]

2. UL Günther, C Ludwig, H Rüterjans. WAVEWAT—Improved Solvent Suppression in NMR Spectra Employing Wavelet Transforms. Journal of Magnetic Resonance 156(1):19--25, 2002. BibTeX [nmrlab2]

3. C Ludwig, UL Günther. MetaboLab - advanced NMR data processing and analysis for metabolomics. BMC Bioinformatics 12:366, 201. BibTeX [nmrlab3]

4. UL Günther, B Schaffhausen. NMRKIN: Simulating line shapes from two-dimensional spectra of proteins upon ligand binding. Journal of Biomolecular NMR 22(3):201--209, 2002. BibTeX [nmrlab4]