Mechanistic Understanding of the Discrepancies between Common Peak Picking Algorithms in Liquid Chromatography-Mass Spectrometry-Based Metabolomics.
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DOI: 10.1021/acs.analchem.2c04887
Abstract: Inconsistent peak picking outcomes are a critical concern in processing liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics data. This work systematically studied the mechanisms behind the discrepancies among five commonly used peak picking algorithms, including CentWave… read more here.
Keywords: picking algorithms; metabolic features; liquid chromatography; peak picking ... See more keywords