Align a GCIMSSample in retention time with parametric optimized warping — alignRt_pow • GCIMS

Align a GCIMSSample in retention time with parametric optimized warping

alignRt_pow(
  object,
  ric_ref,
  ric_ref_rt,
  lambdas = pracma::logspace(-2, 4, 31),
  p = 10,
  max_it = 5000,
  lambda1 = 10^6
)

Arguments

object: A GCIMSSample object
ric_ref: The reference Reverse Ion Chromatogram
ric_ref_rt: The retention times corresponding to ric_ref
lambdas: a vector with the penalties to test the POW
p: By default 10, meaning to use one every 10 points to validate.
max_it: Maximum number of iterations
lambda1: Regularization parameter for second derivative of warp

Value

The modified GCIMSSample