Class "mass" for mass spectrometry model storage.
mass is the class for mass spectrometry models; an object of class "mass" is initialized if mod_type = "mass" is an argument of initModel. All objects of class mass are sub-classes of class kin; see documentation for kin
for a description of these slots. class
Objects can be created by calls of the form new("mass", ...) or kin(...).
peakpar: list of vectors of starting values for the parameters of components; one vector of values is used to parameterize each component.
peakfunct:: Object of class "character"
that specifies the function by which components are parameterized in time; this is by default "expmodgaus" for the exponentially modified Gaussian function.
lzerofile:: Object of class "character" that specifies the filename of the lzero specification to read in from file. This file has the format: 1st line not read; lines thereafter are the space-delimited index of the component to constrain, the lower bound of the constraint, and the upper bound of the constraint, e.g., 1 218.80 220.09
extracomp:: Object of class "logical" that defaults to TRUE and determines whether a component with constant concentration in time is added to the model to represent a baseline.
shift:: Object of class "vector" that represents a shift of the location of each elution profile peak; this can be specified per-component, in which case length(shift) is the number of components (not including a baseline component) or for all components, in which case length(shift == 1).
Class kin-class, directly.
See kin-class for an example of the initialization of a kin object via the initModel function.
Katharine M. Mullen, Ivo H. M. van Stokkum
kin-class, spec-class