Align a GCIMS dataset

The alignment uses a multiplicative correction in drift time and a Parametric Time Warping correction in retention time

# S4 method for class 'GCIMSDataset'
align(
  object,
  method_rt = "ptw",
  align_dt = TRUE,
  align_ip = TRUE,
  reference_sample_idx = NULL,
  ...
)

Arguments

object

A GCIMSDataset object, modified in-place

method_rt

Method for alignment, should be "ptw" or "pow" if pow is selected the package "pow" must be installed, to do so visit: https://github.com/sipss/pow

align_dt

if TRUE the drift time axis will be aligned using a multiplicative correction

align_ip

if TRUE a multiplicative correction will be done in retention time before applying the other algorithm

reference_sample_idx

One number, the index of the sample to use as reference for the alignment in retention time, if NULL the reference will be calculated automatically depending on the method

...

additional parameters for POW alignment

Value

The modified GCIMSDataset