findMFs

findMFs(targetMass: any, options: any)

Parameters

targetMass (any)

options (any = {})

findMFs

findMFs(targetMass: any, options: any)

Parameters

targetMass (any)

options (any = {})

findMFs

findMFs(targetMass: number, options: MFFinderOptions): Promise<Array<MFResult>>

Parameters

targetMass (number) Monoisotopic mass

options (MFFinderOptions = {})

Returns

Promise<Array<MFResult>>:

mfIncluded

mfIncluded(mf: string, range: string, options: object): boolean

Parameters

mf (string) the molecular formula to check

range (string) the range of MF to explore

options (object = {})

Name	Description
options.maxIterations number (default 10000000)	Maximum number of iterations
options.allowNeutral boolean (default true)
options.ionizations string (default '')	string containing a comma separated list of modifications
options.filter object (default {})
options.filter.minCharge number (default -Infinity)	Minimal charge
options.filter.maxCharge number (default +Infinity)	Maximal charge
options.filter.absoluteCharge boolean (default false)	If true, the charge is absolute (so between 0 and +Infinity by default)
options.filter.unsaturation object (default {})
options.filter.unsaturation.min number (default -Infinity)	Minimal unsaturation
options.filter.unsaturation.max number (default +Infinity)	Maximal unsaturation
options.filter.unsaturation.onlyInteger boolean (default false)	Integer unsaturation
options.filter.unsaturation.onlyNonInteger boolean (default false)	Non integer unsaturation
options.filter.atoms object?	object of atom:{min, max}
options.filter.callback function?	a function to filter the MF

Returns

boolean:

findMFsSync

findMFsSync(targetMass: number, options: object): object

Parameters

targetMass (number) Monoisotopic mass

options (object = {})

Name	Description
options.maxIterations number (default 10000000)	Maximum number of iterations
options.allowNeutral boolean (default true)
options.uniqueMFs boolean (default true)
options.limit number (default 1000)	Maximum number of results
options.ionizations string (default '')	string containing a comma separated list of modifications
options.ranges (string | Array<{mf: string, min: number, max: number}>) (default 'C0-100 H0-100 O0-100 N0-100')	range of mfs to search
options.precision number (default 100)	Allowed mass range based on precision

Returns

object:

ensureUniqueMF

Ensure that we have only once the same MF In order to improve the speed we just consider the em

ensureUniqueMF(result: object)

Parameters

result (object)

TargetMassCache

returns all the possible neutral mass for a defined experimental (targetMass) mass

new TargetMassCache(targetMass: number, possibilities: Array, options: object)

Parameters

targetMass (number)

possibilities (Array)

options (object = {})