Assessing data quality of peptide mass spectra obtained by quadrupole ion trap mass spectrometry.
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.
Xu
Ming
M
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA.
Geer
Lewis Y
LY
Bryant
Stephen H
SH
Roth
Jeri S
JS
Kowalak
Jeffrey A
JA
Maynard
Dawn M
DM
Markey
Sanford P
SP
D000595:Amino Acid Sequence; D013058:Mass Spectrometry / Q000379:methods*; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry*; D013057:Spectrum Analysis
D010455:Peptides