multipeakfit: Multiple Peaks Fitting

In ChristianGoueguel/specProc: Preprocessing Tools For Laser-Induced Breakdown Spectroscopy (LIBS) Spectra

Multiple Peaks Fitting

Description

Fitting of multiple spectral lines by the same or different lineshape functions with variable parameters.

Usage

multipeakfit(
  x,
  peaks,
  profiles,
  wL = NULL,
  wG = NULL,
  A = NULL,
  wlgth.min = NULL,
  wlgth.max = NULL,
  id = NULL,
  max.iter = 200
)

Arguments

x	A data frame or tibble
peaks	A vector of the selected peaks center wavelengths
profiles	A vector of the lineshape functions for fitting
wL	A numeric of the Lorentzian full width at half maximum (overall initial guess)
wG	A numeric of the Gaussian full width at half maximum (overall initial guess)
A	A numeric of the peak area (overall initial guess)
wlgth.min	A numeric of the lower bound of the wavelength subset
wlgth.max	A numeric of the upper bound of the wavelength subset
id	A character specifying the spectra id (optional)
max.iter	A numeric specifying the maximum number of iteration (200 by default)

Details

The function uses minpack.lm::nlsLM, which is based on the Levenberg-Marquardt algorithm for searching the minimum value of the square of the sum of the residuals.

Value

Fitted value for each peak and the estimated parameters along with the corresponding errors

Author(s)

Christian L. Goueguel

ChristianGoueguel/specProc documentation built on Nov. 9, 2024, 3:23 p.m.