LineshapeSettings

Lineshape Settings

Parameters describing lineshapes for a given dimension may be placed in two different locations. The ‘spec’ structure stores these in ‘spec.par.dX’, and the ‘par’ structure stores them in ‘par.dX’. If the FitSpec function encounters the same parameter in both structures, it will use the value in ‘par.dX’. Typically, one stores acquisition and processing information in the ‘spec’ structure, but specifies the type of signal decay in the ‘par’ structure, although the FitSpec function does not require this convention.

Currently, INFOS provides import functions for Bruker Topspin data, using getSpecBruker. This imports all necessary acquisition and processing parameters, defined here. In addition to acquisition and processing parameters, the type of decay may be specified. Here, options are Gaussian and Lorentzian decay (corresponding to signals that decay with Gaussian and exponential functions). This is specified in ‘par.dX.Broad’, as ‘gauss’ or ‘lorentz’. One may also specify a fixed mixture of Gaussian and Lorentzian broadening, as ‘mixXX’ where XX/100 is the fraction of Gaussian broadening. One may also include a fixed amount of Lorentzian or Gaussian linewidth, specified in ‘par.dX.lorentz0’ and ‘par.dX.gauss0’. The default if not specified is pure Gaussian decay.