getIsotopeProportion-compoundQuantiles-method: The proportion of the intensities of two isotope peaks

In CAMERA: Collection of annotation related methods for mass spectrometry data

Description

Returns the proportion of the intensities of isotope1 versus isotope2 for a compound of the given mass for the given quantile level

Usage

## S4 method for signature 'compoundQuantiles'
getIsotopeProportion(object, isotope1, isotope2,
  mass, quantile)

Arguments

object	A compoundQuantiles object
isotope1	The divident isotope ranging from 0 (the monoisotopic peak) to 5
isotope2	The divisor isotope ranging from 0 (the monoisotopic peak) to 5
mass	The mass of the compound specified in atomic units (=dalton)
quantile	The quantile level for the isotope proportion

Value

The isotope proportion

Author(s)

Hendrik Treutler

Examples

cpObj <- compoundQuantiles(compoundLibrary = "kegg")

compoundMass <- 503
isotope1 <- 0
isotope2 <- 1
quantileLow   <- 0.05
quantileHigh  <- 0.95

propLow  <- getIsotopeProportion(object = cpObj, isotope1 = isotope1, isotope2 = isotope2, mass = compoundMass, quantile = quantileLow)
propHigh <- getIsotopeProportion(object = cpObj, isotope1 = isotope1, isotope2 = isotope2, mass = compoundMass, quantile = quantileHigh)
print(paste("The ", (quantileHigh - quantileLow) * 100, "% confidence interval for the proportion of isotopes ", isotope1, " / ", isotope2, " in a compound with mass ", compoundMass, " is [", propLow, ", ", propHigh, "]", sep = ""))

CAMERA documentation built on Nov. 8, 2020, 4:59 p.m.