find_max_set: Find Most Intense Peak of a Set

Description Usage Arguments Value Author(s) References Examples

View source: R/find_max_set.R

Description

Analyzes spectral data and returns information about the most intense peak in all of the spectral set. Indicates the most intense spectrum, the m/z value, and intesnity of the maximum. User must specify at least two spectra.

Usage

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find_max_set(dat, mass_dat, spectra_cols)

Arguments

dat

The name of the spectral data frame, containing m/z data in the first column and spectral intensity data in subsequent columns.

mass_dat

A character string; the name of the column in dat containing the m/z data for the spectrum.

spectra_cols

A character vector; the names of the column in dat containing the intensity data for the spectra-of-interest.

Value

Returns a data frame indidcating the peak maximum of the spectral set. The sample number, m/z value, and intensity data are returned.

Author(s)

Kristen Yeh <kristenyeh@trentu.ca> Wesley Burr <wesleyburr@trentu.ca> Sophie Castel <sophie.castel@ontariotechu.net>

References

https://github.com/wesleyburr/subMaldi

Examples

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## Load sample dataset "Master.rda"
data("Master")

## Find the most intense peak of six spectra
find_max_set(dat = Master, mass_dat = "full_mz", spectra_cols = c("After1", "Blank2", 
            "Before1", "Blank1", "After2", "Before2"))

wesleyburr/subMaldi documentation built on Oct. 1, 2021, 7:07 a.m.