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
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RGCxGC.pdf |RGCxGC.html✨
RGCxGC/json (API)
NEWS

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

Peer review:

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

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

On CRAN:

chemometricsgcxgcmultiway-algorithmspreprocessing

17 exports 7 stars 1.26 score 8 dependencies 16 scripts 205 downloads

Last updated 2 years agofrom:de0c36944b. Checks:OK: 7. Indexed: yes.

TargetResultDate
Doc / VignettesOKAug 30 2024
R-4.5-winOKAug 30 2024
R-4.5-linuxOKAug 30 2024
R-4.4-winOKAug 30 2024
R-4.4-macOKAug 30 2024
R-4.3-winOKAug 30 2024
R-4.3-macOKAug 30 2024

Exports:baseline_corrbatch_2DCOWdephase_chromget_metadatajoin_chromatogramsm_prcompmake_loadingsplotplot_loadingprint_mpcaread_chromreference_chromscoresset_metadatatwod_cowunfold_chromwsmooth

Dependencies:colorRampsptwrbibutilsRcppRcppArmadilloRcppDERdpackRNetCDF

Introduction to RGCxGC package

Cristian Quiroz-Moreno

Rendered fromExplanation.Rmdusingknitr::rmarkdownon Aug 30 2024.

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

Readme and manuals

Help Manual

Help pageTopics
Subclass aligned_GCxGCaligned_GCxGC-class
Two-dimensional baseline correctionbaseline_corr
Two-dimensional COW in batch.batch_2DCOW
Subclass batch_2DCOWbatch_2DCOW-class
Method dephase_chromdephase_chrom dephase_chrom,GCxGC-method
Class GCxGCGCxGC-class
Method get_metadataget_metadata get_metadata,GCxGC-method get_metadata,joined_chrom-method
Join multiple two-dimensional chromatograms into a single R objectjoin_chromatograms
Class joined_chromjoined_chrom-class
Multiway Principal Component Analysism_prcomp
Import foreign model loadingsmake_loadings
Subclass MPCA subclass for Multiway Principal Component Analysis objectMPCA-class
Chromatograms from Dioagnostic Metabolite Biomarkers of Chronic Typhoid Carraige studyMTBLS579
Microbial metabolism kinetics of _Myrothecium sp._Myrothecium
Method plotplot plot,GCxGC-method
Plot two-dimensional MPCA loadingsplot_loading plot_loading,MPCA-method plot_loading,projected-method
Subclass PLSDAPLSDA-class
Subclass preproc_GCxGCpreproc_GCxGC-class
Print MPCA summaryprint_mpca print_mpca,MPCA-method
Class projectedprojected-class
Subclass raw_GCxGCraw_GCxGC-class
Read two-dimensional chromatogramread_chrom
Make reference chromatogramreference_chrom
Method plot_scoresscores scores,MPCA-method
Set the metadata for a joined_chromset_metadata set_metadata,GCxGC-method set_metadata,joined_chrom,data.frame-method
Two-dimensional correlation optimized warping alignmenttwod_cow
Unfold two-dimensional chromatogramsunfold_chrom
Two-dimensional smoothingwsmooth