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Isotope pattern deconvolution for peptide mass spectrometry by non-negative least squares/least absolute deviation template matching

Martin Slawski1*, Rene Hussong23, Andreas Tholey4, Thomas Jakoby4, Barbara Gregorius24, Andreas Hildebrandt25 and Matthias Hein1

Author Affiliations

1 Department of Computer Science, Saarland University, Saarbrücken, Germany

2 Center for Bioinformatics, Saarland University, Saarbrücken, Germany

3 Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Esch-sur-AlzetteLuxembourg

4 Division for Systematic Proteome Research, Institute for Experimental Medicine, , Kiel, Germany

5 Institut für Informatik, Johannes-Gutenberg -Universität, Mainz, Germany

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BMC Bioinformatics 2012, 13:291  doi:10.1186/1471-2105-13-291

Published: 8 November 2012

Additional files

Additional file 1:

MALDI-TOF spectra.

Format: ZIP Size: 2.6MB Download file

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Additional file 2:

ESI spectra.

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Additional file 3:

Evaluation and results.

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Additional file 4:

Overlapping peptide signals.

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