Consolidate — consolidate • massSight

Consolidate adducts/isomers with similar features into one observation

Usage

consolidate(
  ms_obj,
  use_rt = TRUE,
  use_mz = TRUE,
  rt_threshold = NULL,
  mz_threshold = NULL
)

Arguments

ms_obj: a massSight object
use_rt: boolean if retention time should be used in identifying metabolites that should be consolidated
use_mz: boolean if mass to charge ratio should be used in identifying metabolites that should be consolidated
rt_threshold: user defined retention time threshold for defining adducts/isomers
mz_threshold: user defined mass to charge ratio threshold for defining adducts/isomers

Value

a massSight object with consolidated metabolites