corr2t2d: Two-trace two-dimensional (2T2D) correlation spectroscopy

In corr2D: Implementation of 2D Correlation Analysis in R

Two-trace two-dimensional (2T2D) correlation spectroscopy

Description

corr2t2d compares a pair of spectra in the form of a cross correlation analysis.

Usage

corr2t2d(Sam, Ref, Wave = NULL, preview = FALSE)

Arguments

Sam	Numeric vector containing the sample spectrum to be correlated. Can contain the spectral variable of the sample and reference spectrum as names.
Ref	Numeric vector containing the sample spectrum to be correlated. Can contain the spectral variable of the sample and reference spectrum as names.
Wave	Numeric vector containing the spectral variable. Needs to be specified if names of Sam and Ref are undefined.
preview	Logical: Should a 3D preview of the asynchronous codistribution spectrum be drawn at the end? Uses persp3d from rgl package.

Details

corr2t2d implements the Two-trace two-dimensional (2T2D) approach as described by I. Noda (2018) <DOI:10.1016/j.molstruc.2018.01.091>. The idea is to compare two spectra in a 2D correlation-like approach which was previously not possible as 2D correlation analysis usually needs at least three spectra.

Value

corr2t2d returns a list of class "corr2d" containing the complex correlation matrix ($FT), the correlation and disrelation coefficient as a complex matrix ($coef), the sample $Ref1 and reference spectrum $Ref2 as well as the spectral variable $Wave1 and $Wave2.

References

I. Noda (2018) <DOI:10.1016/j.molstruc.2018.01.091>

See Also

For plotting of the resulting list containing the 2D correlation spectra or correlation coefficient see plot_corr2d and plot_corr2din3d.

Examples

    testdata <- sim2ddata()
    
    twodtest <- corr2t2d(testdata[4, ], testdata[5, ])
    
    plot_corr2d(twodtest, Im(twodtest$FT))

corr2D documentation built on July 14, 2022, 5:06 p.m.