mass

package

v0.0.4 Latest Latest Go to latest Published: Mar 13, 2023 License: MIT Imports: 3 Imported by: 0

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func MinMax(m molecule.Molecule, e *elements.Elems) (Peak, Peak, error)

MinMax returns the smallest and largest mass of a molecule The relative abundance is also returned

type Peak struct {
	Mass      float64
	Abundance float64
}

Peak contains the mass and abundance of one of the isotopes combinations of a molecule