target_metabolite_search — target_metabolite

This function searches for target metabolites in a reference library and a feature table.

Usage

target_metabolite_search(
  reference_library,
  feature_table,
  use_retention_time = TRUE,
  mz_threshold = 10,
  time_threshold = 30
)

reference_library: A reference library table. The reference mz should be called "reference_mz" and the reference retention time should be called "reference_time".
feature_table: A feature table. The mz should be called "mz" and the time should be called "time".
use_retention_time: A logical value indicating whether to use retention time for matching. Default is TRUE.
mz_threshold: The m/z threshold for matching features between two data sets. Default is 10 ppm.
time_threshold: The retention time threshold for matching features between two data sets. Default is 30 seconds. If you use minutes, please convert the unit appropriately.

A data frame with the overlapping features, including `mz_ppm_difference` and, when retention-time matching is used, `time_difference`.