Fitting of a single spectral line by lineshape functions with variable parameters.
Usage
peakfit(
x,
profile = "voigt",
wL = NULL,
wG = NULL,
A = NULL,
wlgth.min = NULL,
wlgth.max = NULL,
id = NULL,
max.iter = 200
)Arguments
- x
A data frame or tibble
- profile
A character specifying the lineshape function to be used: "lorentzian", "gaussian" or "voigt"
- wL
A numeric specifying the Lorentzian full width at half maximum (initial guess)
- wG
A numeric specifying the Gaussian full width at half maximum (initial guess)
- A
A numeric specifying the peak area (initial guess)
- wlgth.min
A numeric specifying the lower bound of the wavelength subset
- wlgth.max
A numeric specifying 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.