title: mz5: space- and time-efficient storage of mass spectrometry data sets.
abstract: Across a host of MS-driven-omics fields, researchers witness the acquisition of ever increasing amounts of high throughput MS data and face the need for their compact yet efficiently accessible storage. Addressing the need for an open data exchange format, the Proteomics Standards Initiative and the Seattle Proteome Center at the Institute for Systems Biology independently developed the mzData and mzXML formats, respectively. In a subsequent joint effort, they defined an ontology and associated controlled vocabulary that specifies the contents of MS data files, implemented as the newer mzML format. All three formats are based on XML and are thus not particularly efficient in either storage space requirements or read/write speed. This contribution introduces mz5, a complete reimplementation of the mzML ontology that is based on the efficient, industrial strength storage backend HDF5. Compared with the current mzML standard, this strategy yields an average file size reduction to ∼54% and increases linear read and write speeds ∼3-4-fold. The format is implemented as part of the ProteoWizard project and is available under a permissive Apache license. Additional information and download links are available from http://software.steenlab.org/mz5.
authors.affiliation: Proteomics Center, Children's Hospital Boston, Boston, Massachusetts; Faculty of Technology, University Bielefeld, Bielefeld, Germany; Department of Pathology, Children's Hospital Boston, Boston, Massachusetts.
authors.forename: Mathias
authors.initials: M
authors.lastname: Wilhelm
authors.affiliation: Proteomics Center, Children's Hospital Boston, Boston, Massachusetts; Department of Pathology, Children's Hospital Boston, Boston, Massachusetts; Department of Pathology, Harvard Medical School, Boston, Massachusetts. Electronic address: mathias.wilhelm@childrens.harvard.edu.
authors.forename: Marc
authors.initials: M
authors.lastname: Kirchner
authors.affiliation: Proteomics Center, Children's Hospital Boston, Boston, Massachusetts; Department of Neurobiology, Harvard Medical School and F. M. Kirby Neurobiology Center, Children's Hospital, Boston, Massachusetts.
authors.forename: Judith A J
authors.initials: JAJ
authors.lastname: Steen
authors.affiliation: Proteomics Center, Children's Hospital Boston, Boston, Massachusetts; Department of Pathology, Children's Hospital Boston, Boston, Massachusetts; Department of Pathology, Harvard Medical School, Boston, Massachusetts.
authors.forename: Hanno
authors.initials: H
authors.lastname: Steen
mesh_terms: D002851:Chromatography, High Pressure Liquid; D006367:HeLa Cells; D006801:Humans; D016247:Information Storage and Retrieval; D013058:Mass Spectrometry / Q000379:methods*; D040901:Proteomics