IsotopicDistribution

new IsotopicDistribution(value: any, options: any)
Parameters
value (any)
options (any = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

IsotopicDistribution

new IsotopicDistribution(value: any, options: any)
Parameters
value (any)
options (any = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

IsotopicDistribution

new IsotopicDistribution(value: any, options: any)
Parameters
value (any)
options (any = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

IsotopicDistribution

new IsotopicDistribution(value: any, options: any)
Parameters
value (any)
options (any = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

IsotopicDistribution

new IsotopicDistribution(value: any, options: any)
Parameters
value (any)
options (any = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

IsotopicDistribution

A class that allows to manage isotopic distribution

new IsotopicDistribution(value: (string | Array<any>), options: IsotopicDistributionOptions?)
Parameters
value ((string | Array<any>)) Molecular formula or an array of parts.
options (IsotopicDistributionOptions? = {})
Instance Members
getParts()
getDistribution()
getCSV(options)
getTSV(options)
getText(options)
getPeaks(options)
getXY(options)
getVariables(options)
getGaussian(options)

parts

parts

Type: PartInfo

Distribution

Internal class to deal with isotopic distribution calculations

new Distribution(array: any)
Parameters
array (any = [])
Instance Members
sortX()
sortY()
topY(limit)
threshold(relativeValue)

joinX

Join x values if there are similar

joinX(self: any, threshold: any)
Parameters
self (any)
threshold (any = Number.EPSILON)

getDerivedCompositionInfo

Calcultes informations about the isotopic composition explaining a specific mass

getDerivedCompositionInfo(composition: Record<string, number>)
Parameters
composition (Record<string, number>)