Peak feature matrix — peak_mat • metabodeconplus

Thin wrapper around si_mat() suitable as the feat_fun argument of fit_mdm(). Equivalent to si_mat(x, igrs=igrs); the snapping that used to live here has moved into align() (reference-snapping stage).

Usage

peak_mat(x, igrs = list(), peakPos = NULL, ...)

Arguments

x: An aligns object (or decons2).
igrs: List of two-element ppm intervals to ignore.
peakPos: Optional integer column indices, forwarded to si_mat() for predict mode.
...: Ignored. Accepted so peak_mat and bin() share a single feat_fun(x, maxCombine, igrs) protocol; peak_mat ignores maxCombine because snapping happens upstream inside align().

Value

A numeric matrix with spectra in rows and chemical shifts as colnames.

Author

2024-2026 Tobias Schmidt: initial version.

Examples

decons <- deconvolute(sim[1:3], sfr=c(3.55, 3.35), verbose=FALSE)
aligned <- align(decons, maxShift=50, maxCombine=20, verbose=FALSE)
X <- peak_mat(aligned)