cosmiq

cosmiq - COmbining Single Masses Into Quantities

Bioconductor version: 3.23 · Package version: 1.46.0

cosmiq is a tool for the preprocessing of liquid- or gas - chromatography mass spectrometry (LCMS/GCMS) data with a focus on metabolomics or lipidomics applications. To improve the detection of low abundant signals, cosmiq generates master maps of the mZ/RT space from all acquired runs before a peak detection algorithm is applied. The result is a more robust identification and quantification of low-intensity MS signals compared to conventional approaches where peak picking is performed in each LCMS/GCMS file separately. The cosmiq package builds on the xcmsSet object structure and can be therefore integrated well with the package xcms as an alternative preprocessing step.

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

BiocManager::install("cosmiq")