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qcML: an exchange format for quality control metrics from mass spectrometry experiments.

Published version
Peer-reviewed

Type

Article

Change log

Authors

Walzer, Mathias 
Pernas, Lucia Espona 
Nasso, Sara 
Bittremieux, Wout 
Nahnsen, Sven 

Abstract

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 http://code.google.com/p/qcml.

Description

Keywords

Databases, Protein, Mass Spectrometry, Programming Languages, Proteomics, Quality Control, Software

Journal Title

Mol Cell Proteomics

Conference Name

Journal ISSN

1535-9476
1535-9484

Volume Title

13

Publisher

Elsevier BV
Sponsorship
European Commission (262067)