nmr_clustering

List representing the dataset from an nmr peaks metabolomics experiment.

dataset_orig

Correlation method used to cluster the variables. Defaults to "pearson".

CMETH

Minimum correlation between variables, so they can belong to the same cluster. Can be calculated using <code><a rd-options="" href="/link/find_corr?package=specmine&version=2.0.3" data-mini-rdoc="specmine::find_corr">find_corr</a></code> function.

CVAL

Minimum number of variables in each cluster. Only the clusters with at least MVER variables will be returned.

MVER

Takes a dataset and performs clustering of variables, according to a correlation. The variables
will be separated into different clusters, according to a minimum correlation between variables.
Each cluster may correspond to a metabolite.

Provides a set of methods for metabolomics
data analysis, including data loading in different formats,
pre-processing, metabolite identification, univariate and multivariate
data analysis, machine learning, feature selection and pathway analysis. Case studies
can be found on the website: <http://darwin.di.uminho.pt/metabolomicspackage/index.html>.
'rcytoscapejs' is not present in a mainstream repository, but it can be obtained by
typing 'devtools::install_github('cytoscape/r-cytoscape.js')' on the R command line.

Miguel Rocha

specmine

Metabolomics and Spectral Data Analysis and Mining

nmr_clustering function

Minimum correlation between variables, so they can belong to the same cluster. Can be calculated using <code><a rd-options='' href='find_corr'>find_corr</a></code> function.

nmr_clustering: Cluster of variables (peaks) in a NMR peaks dataset for metabolite identification.

Description

Usage

Arguments

Value