BMC Bioinformatics

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Open Access Highly Access Methodology article

A dynamic programming approach for the alignment of signal peaks in multiple gas chromatography-mass spectrometry experiments

Mark D Robinson1,2, David P De Souza3, Woon W Keen4, Eleanor C Saunders3, Malcolm J McConville3, Terence P Speed1,5 and Vladimir A Likić3,4*

Author Affiliations

1 The Walter and Eliza Hall Institute of Medical Research, 1G Royal Parade, Parkville, VIC 3050, Australia

2 Department of Medical Biology, University of Melbourne, Parkville, VIC 3010, Australia

3 Department of Biochemistry and Molecular Biology, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Royal Parade, Parkville, VIC, 3010, Australia

4 Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Royal Parade, Parkville, 3010, Australia

5 Department of Statistics, University of California, Berkeley, CA 94720-3860, USA

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BMC Bioinformatics 2007, 8:419 doi:10.1186/1471-2105-8-419

Published: 29 October 2007

Additional files

Additional file 1:

Raw data files, peak lists, and alignment tables for eight replicate experiments obtained by GC-MS metabolic profiling of wild type L.mexicana. This folder contains peak lists for eight GC-MS replicate experiments, raw GC-MS data files in the NetCDF format, manually prepared peak alignment table, and the alignment table obtained by automated peak alignment.

Format: GZ Size: 5.9MB Download file

Open Data

Additional file 2:

Additional raw data files for replicate experiments obtained by GC-MS metabolic profiling of wild type L.mexicana. This folder contains three additional raw GC-MS data files in the NetCDF format, that correspond to peak lists provided in SupplMaterial1/ChemStation.

Format: GZ Size: 9MB Download file

Open Data

Additional file 3:

Additional raw data files for replicate experiments obtained by GC-MS metabolic profiling of wild type L.mexicana. This folder contains three additional raw GC-MS data files in the NetCDF format, that correspond to peak lists provided in SupplMaterial1/ChemStation.

Format: GZ Size: 8.9MB Download file

Open Data