Picky with peakpicking: assessing chromatographic peak quality with simple metrics in metabolomics

Abstract Background Chromatographic peakpicking continues to represent a significant bottleneck in automated LC–MS workflows. Uncontrolled false discovery rates and the lack of manually-calibrated quality metrics require researchers to visually evaluate individual peaks, requiring large amounts of t...

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Bibliographic Details
Main Authors: William Kumler, Bryna J. Hazelton, Anitra E. Ingalls
Format: Article
Language:English
Published: BMC 2023-10-01
Series:BMC Bioinformatics
Subjects:
Online Access:https://doi.org/10.1186/s12859-023-05533-4