This R package contains example to test and demonstrate the patRoon R package. The data is used in the package vignette to demonstrate the various functionality of patRoon regarding mass spectrometry based non-target analysis.

This data package contains

• a triplicate analysis of a blank solvent (useful for blank subtraction)
• a triplicate analysis of a standard mixture containing a wide range of polar contaminants.

To reduce file sizes, the data has been filtered to only contain the first ten minutes of the chromatographic run with m/z 75-450. This filtering step was performed with the msconvert command of ProteoWizard. The complete data processing script can be found in data-raw/process.R

You can install patRoonData from github with:

install.packages("remotes")
remotes::install_github("rickhelmus/patRoonData")

Please see the patRoon web page.