AtomicRatioMF

AtomicRatioMF

Type: object

Properties

em (number)

mw (number)

mf (string)

mfAtomicComposition (Array<MFAtomicComposition>)

atomicRatios (Array<AtomicRatio>)

totalError (number)

MFAtomicComposition

MFAtomicComposition

Type: object

Properties

element (string)

count (number)

theoretical (number)

experimental (number)

error (number)

AtomicRatio

AtomicRatio

Type: object

Properties

element (string)

count (number)

theoretical (number)

mfFromAtomicRatio

Returns possible combinations

mfFromAtomicRatio(ratios: object?, options: object): Promise<Array<AtomicRatioMF>>

Parameters

ratios (object?)

options (object = {})

Name	Description
options.ranges string (default 'C0-10 H0-10 O0-10 N0-10')	range of mfs to search
options.maxElementError number (default 0.05)
options.maxTotalError number (default 0.1)
options.minMW number (default 0)	minimal molecular weight
options.maxMW number (default +Infinity)	maximal molecular weight
options.unsaturation object (default {})
options.unsaturation.min number (default -Infinity)	Minimal unsaturation
options.unsaturation.max number (default +Infinity)	Maximal unsaturation
options.unsaturation.onlyInteger boolean (default false)	Integer unsaturation
options.unsaturation.onlyNonInteger boolean (default false)	Non integer unsaturation

Returns

Promise<Array<AtomicRatioMF>>: