multiex1: Data inspired by GC mass spectrometry experiments

In ALS: Multivariate Curve Resolution Alternating Least Squares (MCR-ALS)

Data inspired by GC mass spectrometry experiments

Description

Data inspired by GC mass spectrometry experiments.

Usage

data("multiex1")

Format

PsiList is a list of 15 matrices of dimension 81 by 165, each representing time and m/z resolved data.

WList is a list of 15 matrices of dimension 81 by 165, in which each point is a weight to be applied to a given data point.

xm and xm2 represent the 81 times and 165 m/z values represented by each dataset in PsiList, respectively.

AList is a list of length 15, the elements of which represent estimates for the amplitude of each component in each of the 15 datasets.

C1 is a 81 by 2 matrix representing a starting value for the shape of the elution profiles.

Sm represents mass spectra known to be represented in the data, as a 165 by 2 matrix.

See Also

als

Examples

data("multiex1")
## mass spectra in the data 
plotS(Sm,xm2)

ALS documentation built on Aug. 25, 2022, 9:09 a.m.