Assessing data quality of peptide mass spectra obtained by quadrupole ion trap mass spectrometry.

Autor: Xu M; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA., Geer LY, Bryant SH, Roth JS, Kowalak JA, Maynard DM, Markey SP
Jazyk: angličtina
Zdroj: Journal of proteome research [J Proteome Res] 2005 Mar-Apr; Vol. 4 (2), pp. 300-5.
DOI: 10.1021/pr049844y
Abstrakt: An algorithm is introduced to assess spectral quality for peptide CID spectra acquired by a quadrupole ion trap mass spectrometer. The method employs a quadratic discriminant function calibrated with manually classified 'bad' and 'good' quality spectra, producing a single 'spectral quality' score. Many spectra examined that do not have significant matches are assessed to have good spectral quality, indicating that advances in search methods may yield substantial improvements in results.
Databáze: MEDLINE