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.
Objects can be created by calls of the form new("mass", ...) or
kin(...).
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.
Katharine M. Mullen, Ivo H. M. van Stokkum
See kin-class for an
example of the initialization of a
kin object via the initModel function.
kin-class, spec-class