The method identifies indices of pure variables using the SIMPLISMA algorithm.
mcrals.cal(
D,
ncomp,
cont.constraints,
spec.constraints,
spec.ini,
cont.forced,
spec.forced,
cont.solver,
spec.solver,
max.niter,
tol,
verbose
)
The function returns a list with with following fields:
number of pure components.
matrix with resolved spectra.
matrix with resolved contributions.
list with contribution constraints provided by user.
list with spectra constraints provided by user.
maximum number of iterations
matrix with the spectra
number of pure components
a list with constraints to be applied to contributions (see details).
a list with constraints to be applied to spectra (see details).
a matrix with initial estimation of the pure components spectra.
a matrix which allows to force some of the concentration values (see details).
a matrix which allows to force some of the spectra values (see details).
which function to use as a solver for resolving of pure components contributions (see detials).
which function to use as a solver for resolving of pure components spectra (see detials).
maximum number of iterations.
tolerance, when explained variance change is smaller than this value, iterations stop.
logical, if TRUE information about every iteration will be shown.