prepare_peaks: Prepare list of peaks data into a data.frame

In ismaRP/MALDIpqi: Estimate Parchment Glutamine Index from MALDI-TOF datasets

Prepare list of peaks data into a data.frame

Description

Prepare list of peaks data into a data.frame

Usage

prepare_peaks(peaks, peptides_user, n_isopeaks)

Arguments

peaks	List of peaks matrix. Names are used as spectra name
peptides_user	A dataframe with peptide information. It must contain at least 3 columns, pep_number or ID, mass, sequence and h_hyp (# of hydroxyprolines). IF NULL, default are used, see details.
n_isopeaks	Number of isotopic peaks

Details

The default peptides are the ones from Nair et al. (2022). The paper contains the details on the preprocessing procedure.

Value

A data.frame with isotopic peaks detected from data, theoretical isotopic envelopes for 1 and 2 deamidations and other associated data.

ismaRP/MALDIpqi documentation built on July 2, 2024, 8:43 p.m.