De novo correction of mass measurement error in low resolution tandem MS spectra for shotgun proteomics.

ABSTRACT: We report an algorithm designed for the calibration of low resolution peptide mass spectra. Our algorithm is implemented in a program called FineTune, which corrects systematic mass measurement error in 1 min, with no input required besides the mass spectra themselves. The mass measurement accuracy for a set of spectra collected on an LTQ-Velos improved 20-fold from -0.1776?±?0.0010?m/z to 0.0078?±?0.0006?m/z after calibration (avg?±?95 % confidence interval). The precision in mass measurement was improved due to the correction of non-linear variation in mass measurement accuracy across the m/z range.

SUBMITTER: Egertson JD 

PROVIDER: S-EPMC3515694 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature