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.