Spectrum

Spectroscopic peak data with type, parameters, and peaks.

Fields

Field	Type	Example
type	String	"nmr"
params	Hash	{"type" => "1H", "solvent" => "CDCl3"}
peaks	Array<Peak>	See below

Peak struct

Spectrum::Peak = Struct.new(:position, :intensity,
                            :multiplicity, :assignment,
                            keyword_init: true)

See Spectroscopy syntax for input format.