calcNominalMass: Predict the nominal mass

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

Description

Predict the nominal mass

Usage

calcNominalMass(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 vector with the predicted nominal mass, its predicted lower limit and upper limit

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.