Warpgroup: increased precision of metabolomic data processing by consensus integration bound analysis.

ABSTRACT:

Motivation

Current informatic techniques for processing raw chromatography/mass spectrometry data break down under several common, non-ideal conditions. Importantly, hydrophilic liquid interaction chromatography (a key separation technology for metabolomics) produces data which are especially challenging to process. We identify three critical points of failure in current informatic workflows: compound specific drift, integration region variance, and naive missing value imputation. We implement the Warpgroup algorithm to address these challenges.

Results

Warpgroup adds peak subregion detection, consensus integration bound detection, and intelligent missing value imputation steps to the conventional informatic workflow. When compared with the conventional workflow, Warpgroup m

SUBMITTER: Mahieu NG 

PROVIDER: S-EPMC5013975 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature