Title
iMonDB : mass spectrometry quality control through instrument monitoring iMonDB : mass spectrometry quality control through instrument monitoring
Author
Faculty/Department
Faculty of Sciences. Chemistry
Faculty of Sciences. Mathematics and Computer Science
Publication type
article
Publication
Subject
Mathematics
Chemistry
Biology
Source (journal)
Journal of proteome research
Volume/pages
14(2015) :5 , p. 2360-2366
ISSN
1535-3893
ISI
000354004700033
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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 on 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 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.
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