multiex1

PsiList

AList

WList

Data inspired by GC mass spectrometry experiments.

datasets

Alternating least squares is often used to resolve
components contributing to data with a bilinear structure; the
basic technique may be extended to alternating constrained
least squares.  Commonly applied constraints include
unimodality, non-negativity, and normalization of components.
Several data matrices may be decomposed simultaneously by
assuming that one of the two matrices in the bilinear
decomposition is shared between datasets.

Katharine Mullen

Multivariate Curve Resolution Alternating Least Squares
(MCR-ALS)

multiex1 function

<code>PsiList</code> is a list of 15 matrices of dimension 81 by 165, each
 representing time and m/z resolved data.
<code>WList</code> 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. 
<code>xm</code> and <code>xm2</code> represent the 81 times and 165 m/z values
 represented by each dataset in <code>PsiList</code>, respectively.
<code>AList</code> is a list of length 15, the elements of which represent
 estimates for the amplitude of each component in each of the 15
 datasets.
<code>C1</code> is a 81 by 2 matrix representing a starting value for the
 shape of the elution profiles. 
<code>Sm</code> represents mass spectra known to be represented in the data,
 as a 165 by 2 matrix.

multiex1: Data inspired by GC mass spectrometry experiments

Description

Usage

Arguments

Format

See Also

Examples