mz_iso_correct: Correct intensity vector for natural isotope abundance

Description Usage Arguments Value Examples

View source: R/mz_iso_correct.R

Description

Uses the pracma::lsqlincon function to correct the measured mass isotope distribution for natural abundance with a lower bound of 0 for all corrected values.

Usage

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mz_iso_correct(prob_matrix, v)

Arguments

prob_matrix

Correction matrix output by mz_iso_quant

v

Mass distribution vector of isotopologue intensities

Value

Non-negative mass distribution vector corrected for natural isotope abundance

Examples

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intensity_vector <- c(5710407, 847435, 66688649, 3426642, 8222080, 99981, 0)
v <- intensity_vector/sum(intensity_vector)
prob_matrix <- mz_iso_quant("C6H14O12P2")$prob_matrix
mz_iso_correct(prob_matrix, v)

wmoldham/mzrtools.dev documentation built on Oct. 24, 2020, 5:33 p.m.