patRoonData: Test data for the patRoon package

In rickhelmus/patRoonData: Example Data For The patRoon Package

Test data for the patRoon package

Description

A small set of LC-HRMS data to test and demonstrate the functionality of patRoon.

Usage

exampleDataPath(polarity = "positive")

exampleAnalysisInfo(polarity = "positive")

Arguments

polarity

Either "positive" or "negative".

Details

This package contains data files from (1) a standard mixture containing various polar contaminants and (2) a blank solvent. Both were analysed in triplicate, using an Shimadzu Nexera UHPLC coupled to an high resolution quadrupole time of flight instrument (Bruker maXis 4G Q-TOF) using positive and negative electrospray ionization.

To reduce file sizes, the data has been filtered to only contain the first ten minutes of the chromatographic run with m/z 75-500. The complete data processing script can be found in data-raw/process.R

exampleDataPath is a helper function that returns the file path of the example data.

exampleAnalysisInfo is a helper function that generate analysis information that can be directly used by patRoon.

rickhelmus/patRoonData documentation built on June 10, 2022, 11 p.m.