adductQuantif-class: AdductQuantif class The AdductQuantif class contains a peak...
In JosieLHayes/adductomicsR: Processing of adductomic mass spectral datasets

Description Usage Format Value Slots Methods Author(s)

AdductQuantif class The AdductQuantif class contains a peak integral matrix, peak ranges and region of integration, the isotopic distribution identified for each integrated peak and the target table of peaks integrated.

An object of class NULL of length 0.

peak integral matrix, peak ranges and region of integration, the isotopic distribution identified for each integrated peak and the target table of peaks integrated and their corresponding MS1 scan isotopic patterns

peakQuantTable: a matrix containing the peak integration results and consisting of a row for each peak identified in each sample (e.g 200 samples and 50 targets 200 * 50 = 10,000 rows)
peakIdData: list of peak IDs
predIsoDist: list of predicted Iso distances
targTable: dataframe target table
file.paths: character path to file
Parameters: dataframe of specified parameters

c: signature(object = "AdductQuantif"): Concatenates the spectra information.
file.paths: signature(object = "AdductQuantif"): Accesses the file paths.
peakQuantTable: signature(object = "AdductQuantif"): Accesses the peak quantification data as a table.
peakIdData: signature(object = "AdductQuantif"): Accesses the ID data for the peaks.
predIsoDist: signature(object = "AdductQuantif"): Accesses the predicted isotopic distribution.
targTable: signature(object = "AdductQuantif"): Accesses the user provided target table.