find_max: Find Peak Maxima

Description Usage Arguments Value Author(s) References Examples

Description

Analyzes spectral data and returns a list of the most intense peak in each spectrum, including the m/z value associated with the peak.

Usage

1
find_max(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 most intense peaks of each input spectrum. Indicates the spectrum the data is from, the m/z value associated with the peak, and the intensity of the maxima.

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

1
2
3
4
5
6
## Load sample dataset "Master.rda"
data("Master")


## Find maxima of four spectra
find_max(dat = Master, mass_dat = "full_mz", spectra_cols = c("Blank1", "Before1", "After1", "After2"))

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