Correcting systematic bias and instrument measurement drift with mzRefinery.
Where this comes from
- Record sourced from PubMed, PMID 26243018.
- Also identified by DOI 10.1093/bioinformatics/btv437 and PMC identifier 4653383.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
Abstract
Systematic bias in mass measurement adversely affects data quality and negates the advantages of high precision instruments. We introduce the mzRefinery tool for calibration of mass spectrometry data files. Using confident peptide spectrum matches, three different calibration methods are explored and the optimal transform function is chosen. After calibration, systematic bias is removed and the mass measurement errors are centered at 0 ppm. Because it is part of the ProteoWizard package, mzRefinery can read and write a wide variety of file formats. The mzRefinery tool is part of msConvert, available with the ProteoWizard open source package at http://proteowizard.sourceforge.net/ samuel.payne@pnnl.gov. Supplementary data are available at Bioinformatics online.
Medical subject headings
- Calibration
- Mass Spectrometry
- Peptide Fragments
- Proteins
- Proteome
- Software