Package: RGCxGC 1.2.0

RGCxGC: Preprocessing and Multivariate Analysis of Bidimensional Gas Chromatography Data

Toolbox for chemometrics analysis of bidimensional gas chromatography data. This package import data for common scientific data format (NetCDF) and fold it to 2D chromatogram. Then, it can perform preprocessing and multivariate analysis. In the preprocessing algorithms, baseline correction, smoothing, and peak alignment are available. While in multivariate analysis, multiway principal component analysis is incorporated.

Authors:Cristian Quiroz-Moreno [aut, cre], Guilherme L. Alexandrino [aut], Noroska G.S. Mogollón [aut]

RGCxGC_1.2.0.tar.gz
RGCxGC_1.2.0.zip(r-4.7-any)RGCxGC_1.2.0.zip(r-4.6-any)RGCxGC_1.2.0.zip(r-4.5-any)
RGCxGC_1.2.0.tgz(r-4.6-any)RGCxGC_1.2.0.tgz(r-4.5-any)
RGCxGC_1.2.0.tar.gz(r-4.7-any)RGCxGC_1.2.0.tar.gz(r-4.6-any)
RGCxGC_1.2.0.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
RGCxGC/json (API)

# Install 'RGCxGC' in R:

install.packages('RGCxGC', repos = c('https://danielquiroz97.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/danielquiroz97/rgcxgc/issues

Pkgdown/docs site:https://danielquiroz97.github.io

Datasets:

MTBLS579 - Chromatograms from Dioagnostic Metabolite Biomarkers of Chronic Typhoid Carraige study
Myrothecium - Microbial metabolism kinetics of _Myrothecium sp._

On CRAN:

chemphys chemometrics gcxgc multiway-algorithms preprocessing

5.04 score 7 stars 31 scripts 291 downloads 17 exports 8 dependencies

Last updated from:de0c36944b. Checks:9 OK. Indexed: yes.

Target	Result	Time
linux-devel-x86_64	OK	141
source / vignettes	OK	236
linux-release-x86_64	OK	194
macos-release-arm64	OK	150
macos-oldrel-arm64	OK	245
windows-devel	OK	147
windows-release	OK	92
windows-oldrel	OK	129
wasm-release	OK	128

Exports:baseline_corr batch_2DCOW dephase_chrom get_metadata join_chromatograms m_prcomp make_loadings plot plot_loading print_mpca read_chrom reference_chrom scores set_metadata twod_cow unfold_chrom wsmooth

Dependencies:colorRamps ptw rbibutils Rcpp RcppArmadillo RcppDE Rdpack RNetCDF

Introduction to RGCxGC package

Rendered fromExplanation.Rmdusingknitr::rmarkdown

Last update: 2022-03-15
Started: 2019-01-09

Help page	Topics
Subclass aligned_GCxGC	aligned_GCxGC-class
Two-dimensional baseline correction	baseline_corr
Two-dimensional COW in batch.	batch_2DCOW
Subclass batch_2DCOW	batch_2DCOW-class
Method dephase_chrom	dephase_chrom dephase_chrom,GCxGC-method
Class GCxGC	GCxGC-class
Method get_metadata	get_metadata get_metadata,GCxGC-method get_metadata,joined_chrom-method
Join multiple two-dimensional chromatograms into a single R object	join_chromatograms
Class joined_chrom	joined_chrom-class
Multiway Principal Component Analysis	m_prcomp
Import foreign model loadings	make_loadings
Subclass MPCA subclass for Multiway Principal Component Analysis object	MPCA-class
Chromatograms from Dioagnostic Metabolite Biomarkers of Chronic Typhoid Carraige study	MTBLS579
Microbial metabolism kinetics of _Myrothecium sp._	Myrothecium
Method plot	plot plot,GCxGC-method
Plot two-dimensional MPCA loadings	plot_loading plot_loading,MPCA-method plot_loading,projected-method
Subclass PLSDA	PLSDA-class
Subclass preproc_GCxGC	preproc_GCxGC-class
Print MPCA summary	print_mpca print_mpca,MPCA-method
Class projected	projected-class
Subclass raw_GCxGC	raw_GCxGC-class
Read two-dimensional chromatogram	read_chrom
Make reference chromatogram	reference_chrom
Method plot_scores	scores scores,MPCA-method
Set the metadata for a joined_chrom	set_metadata set_metadata,GCxGC-method set_metadata,joined_chrom,data.frame-method
Two-dimensional correlation optimized warping alignment	twod_cow
Unfold two-dimensional chromatograms	unfold_chrom
Two-dimensional smoothing	wsmooth

Package: RGCxGC 1.2.0

RGCxGC: Preprocessing and Multivariate Analysis of Bidimensional Gas Chromatography Data

Citation

Development and contributors

Readme and manuals

Help Manual

Usage by other packages (reverse dependencies)