Batch correction methods for nontarget chemical analysis data: application to a municipal wastewater collection system.

ABSTRACT: Nontarget chemical analysis using high-resolution mass spectrometry has increasingly been used to discern spatial patterns and temporal trends in anthropogenic chemical abundance in natural and engineered systems. A critical experimental design consideration in such applications, especially those monitoring complex matrices over long time periods, is a choice between analyzing samples in multiple batches as they are collected, or in one batch after all samples have been processed. While datasets acquired in multiple analytical batches can include the effects of instrumental variability over time, datasets acquired in a single batch risk compound degradation during sample storage. To assess the influence of batch effects on the analysis and interpretation of nontarget data, this study exami

SUBMITTER: Hattaway ME 

PROVIDER: S-EPMC9928919 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature