squallms

Speedy quality assurance via lasso labeling for LC-MS data

Bioconductor version: 3.23 · Package version: 1.6.0

squallms is a Bioconductor R package that implements a "semi-labeled" approach to untargeted mass spectrometry data. It pulls in raw data from mass-spec files to calculate several metrics that are then used to label MS features in bulk as high or low quality. These metrics of peak quality are then passed to a simple logistic model that produces a fully-labeled dataset suitable for downstream analysis.

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("squallms")