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 matrix2SpectraObject
.
The structure of a Spectra
object is a list of 9
elements and an attribute as follows:
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. |
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. Finally, additional documentation at https://bryanhanson.github.io/ChemoSpec/