ChemoSpec (version 3.0-1)

Spectra: Spectra Objects

Description

In ChemoSpec, spectral data sets are stored in an S3 class called Spectra, which contains a variety of information in addition to the spectra themselves. Spectra objects are created by files2SpectraObject or similar functions (no others currently exist).

Structure

The structure of a Spectra object is a list of 7 elements and an attribute as follows:

lll{ element type description $freq num A common frequency (or wavelength) axis for all the spectra. $data num The intensities for the spectra. A matrix of dimension no. samples x no. frequency points. $names chr The sample names for the spectra; length must be no. samples. $groups Factor The group classification of the samples; length must be no. samples. $colors chr The colors for each sample; length must be no. samples. Groups and colors correspond. $sym integer As for colors, but symbols for plotting (if b/w is desired). $alt.sym chr Lower-case letters as alternate symbols for plotting. $unit chr Two entries, the first giving the x axis unit, the second the y axis unit. $desc chr A character string describing the data set. This appears on plots and therefore should probably be kept to 40 characters or less. - attr chr "Spectra" The S3 class designation. }

References

https://github.com/bryanhanson/ChemoSpec

See Also

sumSpectra to summarize a "Spectra" object. sumGroups to summarize group membership of a "Spectra" object. chkSpectra to verify the integrity of a "Spectra" object. colorSymbol for a discussion of color options.