Five Easy Metrics of Data Quality for LC-MS-Based Global Metabolomics.

ABSTRACT: Data quality in global metabolomics is of great importance for biomarker discovery and system biology studies. However, comprehensive metrics and methods to evaluate and compare the data quality of global metabolomics data sets are lacking. In this work, we combine newly developed metrics, along with well-known measures, to comprehensively and quantitatively characterize the data quality across two similar liquid chromatography coupled with mass spectrometry (LC-MS) platforms, with the goal of providing an efficient and improved ability to evaluate the data quality in global metabolite profiling experiments. A pooled human serum sample was run 50 times on two high-resolution LC-QTOF-MS platforms to provide profile and centroid MS data. These data were processed using Progenesis QI software

SUBMITTER: Zhang X 

PROVIDER: S-EPMC7943071 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature