match_mz_inter: Checking masses from different ion modes

Description Usage Arguments Author(s) See Also Examples

View source: R/MS1_Utilities.R

Description

This function is used to match two masses from the positive and negative ionization mode to check it they are potentially derived from the same metabolite. Based on the given adducts, all combinations are tested from positive to negative ion mode and the other way. If for both cases the mass error is below the given mass error it is assumed that the masses are derived from the same metabolite.

Usage

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match_mz_inter(posMz, negMz, posAdducts, negAdducts, mzTol = 0.005,
  mzTolType = "abs")

Arguments

posMz

m/z value of positive ionization mode

negMz

m/z value of negative ionization mode

posAdducts

vector with adducts that are used for the positive ionization mode

negAdducts

vector with adducts that are used for the negative ionization mode

mzTol

m/z error, numeric value

mzTolType

type of error used, absolute (abs) or relative (ppm)

Author(s)

Michael Witting, michael.witting@helmholtz-muenchen.de

See Also

matchMassDiff

Examples

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michaelwitting/masstrixR documentation built on Nov. 8, 2019, 8:12 p.m.