title: iMonDB: Mass Spectrometry Quality Control through Instrument Monitoring.
abstract: Over the past few years, awareness has risen that for mass-spectrometry-based proteomics methods to mature into everyday analytical and clinical practices, extensive quality assessment is mandatory. A currently overlooked source of qualitative information originates from the mass spectrometer itself. Apart from the actual mass spectral data, raw-data objects also contain parameter settings and sensory information about the mass instrument. This information gives a detailed account of the operation of the instrument, which eventually can be related to observations in mass spectral data. The advantage of instrument information at the lowest level is the high sensitivity to detect emerging defects in a timely fashion. To this end, we introduce the Instrument MONitoring DataBase (iMonDB), which allows us to automatically extract, store, and manage the instrument parameters from raw-data objects into a highly efficient database structure. This enables us to monitor the instrument parameters over a considerable time period. Time course information about the instrument performance is necessary to define the normal range of operation and to detect anomalies that may correlate with instrument failure. The proposed tools foster an additional handle on quality control and are released as open source under the permissive Apache 2.0 license. The tools can be downloaded from https://bitbucket.org/proteinspector/imondb.
authors: †Department of Mathematics and Computer Science, University of Antwerp, Middelheimlaan 1, 2020 Antwerp, Belgium.|‡Biomedical Informatics Research Center Antwerp (biomina), University of Antwerp/Antwerp University Hospital, Wilrijkstraat 10, 2650 Edegem, Belgium.
authors: Wout
authors: W
authors: Bittremieux
authors: §Flemish Institute for Technological Research (VITO), Boeretang 200, BE-2400 Mol, Belgium.
authors: Hanny
authors: H
authors: Willems
authors: §Flemish Institute for Technological Research (VITO), Boeretang 200, BE-2400 Mol, Belgium.|∥Department of Medical Protein Research, VIB, Albert Baertsoenkaai 3, 9000 Ghent, Belgium.|⊥Department of Biochemistry, Faculty of Medicine and Health Sciences, Ghent University, Albert Baertsoenkaai 3, 9000 Ghent, Belgium.
authors: Pieter
authors: P
authors: Kelchtermans
authors: ∥Department of Medical Protein Research, VIB, Albert Baertsoenkaai 3, 9000 Ghent, Belgium.|⊥Department of Biochemistry, Faculty of Medicine and Health Sciences, Ghent University, Albert Baertsoenkaai 3, 9000 Ghent, Belgium.
authors: Lennart
authors: L
authors: Martens
authors: †Department of Mathematics and Computer Science, University of Antwerp, Middelheimlaan 1, 2020 Antwerp, Belgium.|‡Biomedical Informatics Research Center Antwerp (biomina), University of Antwerp/Antwerp University Hospital, Wilrijkstraat 10, 2650 Edegem, Belgium.
authors: Kris
authors: K
authors: Laukens
authors: §Flemish Institute for Technological Research (VITO), Boeretang 200, BE-2400 Mol, Belgium.|#CFP, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium.|▽I-BioStat, Hasselt University, Agoralaan - Building D, 3590 Diepenbeek, Belgium.
authors: Dirk
authors: D
authors: Valkenborg
mesh_terms: D016208:Databases, Factual; D019544:Equipment Failure Analysis; D006801:Humans; D013058:Mass Spectrometry / Q000592:standards*; D040901:Proteomics / Q000295:instrumentation; D011786:Quality Control; D012984:Software
keywords: database; iMonDB; instrument monitoring; mass spectrometry; quality control