Preprocessing and Multivariate Analysis of Bidimensional Gas Chromatography Data
Subclass aligned_GCxGC
Two-dimensional baseline correction
Subclass batch_2DCOW
Two-dimensional COW in batch.
Method dephase_chrom
Class GCxGC
Method get_metadata
Join multiple two-dimensional chromatograms into a single R object
Class joined_chrom
Multiway Principal Component Analysis
Import foreign model loadings
Subclass MPCA subclass for Multiway Principal Component Analysis objec...
Method plot
Plot two-dimensional MPCA loadings
Subclass PLSDA
Subclass preproc_GCxGC
Print MPCA summary
Class projected
Subclass raw_GCxGC
Read two-dimensional chromatogram
Make reference chromatogram
Method plot_scores
Set the metadata for a joined_chrom
Two-dimensional correlation optimized warping alignment
Unfold two-dimensional chromatograms
Two-dimensional smoothing
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.
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