The FitSpec function is capable of fully automated spectrum fitting, without additional user instructions aside from the spectrum itself. However, many situations will require some adjustments by the user to fully optimize the fitting. The ‘par’ structure gives the user control over most aspects of the spectrum fitting. The details of each field for user instructions is given here, although one should also note that the ‘par’ field is output by the FitSpec function as ‘fit.par’, and contains the settings either chosen by FitSpec or set by the user. This is useful when optimizing fitting parameters, as one can see the initial parameter settings determined by FitSpec, and then optimize those deemed to be suboptimal.
par.grid
par.IterFact
par.add_peaks
par.n_iter
par.cutoff
par.noise_frac, par.n_noise_pks
par.npp
par.control
par.sign
par.noise
par.verbose
par.rangeX
par.lw_rangeX
par.min_lwX, par.max_lwX
par.fixed
par.accur
par.setup_only
par.noise_eval
par.parallel