Repository: Freie Universität Berlin, Math Department

qcML: An Exchange Format for Quality Control Metrics from Mass Spectrometry Experiments

Walzer, M. and Pernas, L. E. and Nasso, S. and Bittremieux, W. and Nahnsen, S. and Kelchtermans, P. and Pichler, P. and van den Toorn, H. W. P. and Staes, A. and Vandenbussche, J. and Mazanek, M. and Taus, T. and Scheltema, R. A. and Kelstrup, C. D. and Gatto, L. and van Breukelen, B. and Aiche, S. and Valkenborg, D. and Laukens, K. and Lilley, K. S. and Olsen, J. V. and Heck, A. J. R. and Mechtler, K. and Aebersold, R. and Gevaert, K. and Vizcaino, J. A. and Hermjakob, H. and Kohlbacher, O. and Martens, L. (2014) qcML: An Exchange Format for Quality Control Metrics from Mass Spectrometry Experiments. Molecular & Cellular Proteomics, 13 (8). pp. 1905-1913. ISSN 1535-9476

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Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data exchange format for reporting these performance metrics. We therefore developed the qcML format, an XML-based standard that follows the design principles of the related mzML, mzIdentML, mzQuantML, and TraML standards from the HUPO-PSI (Proteomics Standards Initiative). In addition to the XML format, we also provide tools for the calculation of a wide range of quality metrics as well as a database format and interconversion tools, so that existing LIMS systems can easily add relational storage of the quality control data to their existing schema. We here describe the qcML specification, along with possible use cases and an illustrative example of the subsequent analysis possibilities. All information about qcML is available at Molecular & Cellular Proteomics 13: 10.1074/mcp.M113.035907, 1905–1913, 2014.

Item Type:Article
Subjects:Mathematical and Computer Sciences > Computer Science
Divisions:Department of Mathematics and Computer Science > Institute of Computer Science > Algorithmic Bioinformatics Group
ID Code:1449
Deposited By: Anja Kasseckert
Deposited On:25 Aug 2014 19:14
Last Modified:25 Aug 2014 19:14

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