JustinZZW/ImmsTools
Some tools for ion mobility mass spectrometry data processing

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MetFragMatch: MetFragMatch

MetFragMatch: MetFragMatch
In JustinZZW/ImmsTools: Some tools for ion mobility mass spectrometry data processing

Description Usage Arguments Value Author(s)

Description

MetFragMatch

Usage

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MetFragMatch(DatabaseSearchRelativeMassDeviation = 5,
  FragmentPeakMatchAbsoluteMassDeviation = 0.001,
  FragmentPeakMatchRelativeMassDeviation = 5,
  MetFragDatabaseType = "PubChem", NeutralPrecursorMass = 253.966126,
  PeakList)

Arguments

DatabaseSearchRelativeMassDeviation

Default: 5ppm

FragmentPeakMatchAbsoluteMassDeviation

Default: 0.001Da

FragmentPeakMatchRelativeMassDeviation

Default: 5.0ppm

MetFragDatabaseType

'PubChem'

NeutralPrecursorMass

253.966126

PeakList

matrix with 2 columns, 1st: mz, 2nd: intensity

Value

a data.frame with scores and candidate properties

Author(s)

Zhiwei Zhou


JustinZZW/ImmsTools documentation built on July 9, 2019, 9:32 a.m.

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