calcRelRatios: Predict the isotopic relative ratios

In jclaesen/pacMASS-R: Predicting the Elemental Composition of Peptides and Small Proteins Based on the Monoisotopic Mass

Description

Predict the isotopic relative ratios

Usage

calcRelRatios(nbS, monoMass, alpha)

Arguments

nbS	number of S-atoms
monoMass	neutral monoisotopic mass of the protein or peptide of interest
alpha	significance level, used to create 1-alpha prediction intervals

Details

The function is valid for proteins and peptides with a mass between 0 dalton and 4000 dalton.

The parameter alpha accepts 0.05 and 0.01 as values. In case another significance value is chosen, it is automatically converted to 0.05.

Value

A matrix with 4 rows, corresponding to Relative Ratio 21, Relative Ratio 32, Relative Ratio 43 and Relative Ratio 54. The first column is the estimated value, the second column is the lower bound of the prediction interval and the third column is the upper bound of the prediction interval.

Examples

calcNominalMass(nbS=0,monoMass=1709.897,alpha=0.05)
calcNominalMass(nbS=0,monoMass=1709.897,alpha=0.01)
calcNominalMass(nbS=0,monoMass=1709.897,alpha=0.15)

jclaesen/pacMASS-R documentation built on Jan. 3, 2020, 12:13 a.m.