LipidMS (version 3.0.0)

groupmsbatch: Group features from an msbatch

Description

Group features from an msbatch

Usage

groupmsbatch(
  msbatch,
  dmz = 5,
  drtagglom = 30,
  drt = 15,
  minsamples,
  minsamplesfrac = 0.25,
  parallel = FALSE,
  ncores
)

Arguments

msbatch

msbatch obtained from setmsbatch or alignmsbatch functions.

dmz

mass tolerance between peak groups for grouping in ppm.

drtagglom

rt window for mz partitioning.

drt

rt window for peaks clustering.

minsamples

minimum number of samples represented in clusters used for grouping.

minsamplesfrac

minimum samples fraction represented in each cluster used for grouping. Used to calculate minsamples in case it is missing.

parallel

logical. If TRUE, parallel processing is performed.

ncores

number of cores to be used in case parallel is TRUE.

Value

grouped msbatch

Examples

# NOT RUN {
msbatch <- groupmsbatch(msbatch)
# }
# NOT RUN {
# }