학술논문

Binary Classifier for Computing Posterior Error Probabilities in MetaMorpheus
Document Type
article
Source
Journal of Proteome Research. 20(4)
Subject
Analytical Chemistry
Biological Sciences
Chemical Sciences
Algorithms
Databases
Protein
Peptides
Probability
Proteomics
Software
Tandem Mass Spectrometry
MetaMorpheus
proteomics
DDA
binary decision tree
search engine
bottom-up
top-down
posterior error probability
proteogenomics
open source
Biochemistry & Molecular Biology
Biological sciences
Chemical sciences
Language
Abstract
MetaMorpheus is a free, open-source software program for the identification of peptides and proteoforms from data-dependent acquisition tandem MS experiments. There is inherent uncertainty in these assignments for several reasons, including the limited overlap between experimental and theoretical peaks, the m/z uncertainty, and noise peaks or peaks from coisolated peptides that produce false matches. False discovery rates provide only a set-wise approximation for incorrect spectrum matches. Here we implemented a binary decision tree calculation within MetaMorpheus to compute a posterior error probability, which provides a measure of uncertainty for each peptide-spectrum match. We demonstrate its utility for increasing identifications and resolving ambiguities in bottom-up, top-down, proteogenomic, and nonspecific digestion searches.