Apply Voigt line-broadening to match a reference spectrum.

Apply Voigt line-broadening to match a reference spectrum.

Usage

match_lineshape(
  mrs_data,
  ref,
  xlim,
  init_lb = 0.2,
  init_lg = 0.5,
  init_amp = 1,
  min_lb = 0,
  max_lb = Inf,
  min_lg = 0,
  max_lg = 1,
  min_amp = 0.1,
  max_amp = 2,
  amp_optim = TRUE
)

Arguments

mrs_data

data to be broadened, note the linewidth of this spectrum must be narrower than the ref spectrum.

ref

reference data to match.

xlim

spectral region to match, eg c(5.2, 4.1) could be used to match two water resonances.

init_lb

initial value for the amount of line-broadening to apply (Hz).

init_lg

initial value for the Lorentz-Gauss lineshape parameter.

init_amp

initial value for the amplitude parameter.

min_lb

minimum value for the amount of line-broadening to apply (Hz).

max_lb

maximum value for the amount of line-broadening to apply (Hz).

min_lg

minimum value for the Lorentz-Gauss lineshape parameter.

max_lg

maximum value for the Lorentz-Gauss lineshape parameter.

min_amp

minimum value for the amplitude parameter.

max_amp

maximum value for the amplitude parameter.

amp_optim

flag to include amplitude adjustment in the optimisation procedure. Defaults to TRUE.

Value

a list containing the matched mrs_data, difference spectra and optimisation results.