peakfit

This code fits spectra to sum of Lorentzian and Gaussian line shapes.

This code fits spectra to modified classical damped harmonic oscillator model where the asymmetry parameter a controls whether it's Lorentzian (a=0) or Gaussian (a=0.3) or mixture (0<a<0.3). The spectrum is a two column matrix where first column is wave number and second column is absorbance. The initial values of spectral parameters should be provided in the same folder. For n peaks, the par file is 4 by n matrix where the rows are peak positions, intensity, width, and asymmetry parameter, respectively. The main code is 'peakfit', on run it will fit IR spectra of formic acid ice. For specific problems, the spectra and the initial peak parameters needs to be changed.