getIsotopeProportion-compoundQuantiles-method: The proportion of the intensities of two isotope peaks In sneumann/CAMERA: Collection of annotation related methods for mass spectrometry data

 getIsotopeProportion,compoundQuantiles-method R Documentation

The proportion of the intensities of two isotope peaks

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

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 = ""))
``````

sneumann/CAMERA documentation built on April 5, 2024, 2:33 a.m.