MTBLS79: Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control — MTBLS79

Direct-infusion mass spectrometry (DIMS) metabolomics is an important approach for characterising molecular responses of organisms to disease, drugs and the environment. Increasingly large-scale metabolomics studies are being conducted, necessitating improvements in both bioanalytical and computational workflows to maintain data quality. This dataset represents a systematic evaluation of the reproducibility of a multi-batch DIMS metabolomics study of cardiac tissue extracts. It comprises of twenty biological samples (cow vs. sheep) that were analysed repeatedly, in 8 batches across 7 days, together with a concurrent set of quality control (QC) samples. Data are presented from each step of the workflow and are available in MetaboLights (https://www.ebi.ac.uk/metabolights/MTBLS79)

Usage

MTBLS79_DatasetExperiment(filtered = FALSE)

Arguments

filtered: TRUE to load data with quality control filters already applied, or FALSE to load the unfiltered data. Default is FALSE. The raw data is available from (https://www.ebi.ac.uk/metabolights/MTBLS79) and as an R dataset in the pmp package, available on Bioconductor.

Value

DatasetExperiment object

Examples

D = MTBLS79_DatasetExperiment()
summary(D)
#> [1] "DatasetExperiment object of length 172 with 7 metadata columns"