Create target list — createTargetList • TARDIS

Loads a .xlsx or .csv file that contains all the information needed to detect targeted compounds.

Usage

createTargetList(
  input_directory_targets,
  pos_pattern,
  neg_pattern,
  polarity,
  ion_column,
  columns_of_interest
)

input_directory_targets: Full path to the file containing the database with targeted compounds.
pos_pattern: Pattern of positive ions to be recognized in ion_column
neg_pattern: Pattern of negative ions to be recognized in ion_column
polarity: Indicates the polarity, can be either "negative" or "positive"
ion_column: Name of the column in which the type of ionisation is found
columns_of_interest: Column names of the columns with information that need to be included, can be as many as needed, but needs to include "ID", "Name","m/z-value" and "RT (min)"

A dataframe containing the targeted compounds

Pablo Vangeenderhuysen