LipidMS (version 3.0.0)

alignmsbatch: Align samples from an msbatch

Description

Align samples from an msbatch

Usage

alignmsbatch(
  msbatch,
  dmz = 5,
  drt = 30,
  minsamples,
  minsamplesfrac = 0.75,
  span = 0.4,
  parallel = FALSE,
  ncores
)

Arguments

msbatch

msbatch obtained from the setmsbatch function.

dmz

mass tolerance between peak groups in ppm.

drt

maximum rt distance between peaks for alignment in seconds.

minsamples

minimum number of samples represented in each cluster used for the alignment.

minsamplesfrac

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

span

span parameter for loess rt deviation smoothing.

parallel

logical. If TRUE, parallel processing will be performed.

ncores

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

Value

aligned msbatch

Examples

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