Package index • metabodeconplus

Deconvolution

Functions to read and deconvolute spectra into their individual peaks.

Functions to align multiple deconvoluted spectra.

align(): Align deconvoluted spectra
clupa() snap_to_ref(): Alignment building blocks
harmonize_grid(): Harmonize a corpus of spectra onto a shared chemical-shift grid

Functions to turn aligned spectra into feature matrices and to fit and benchmark classification models.

si_mat(): Signal-integral matrix
peak_mat(): Peak feature matrix
bin(): Bin a spectra-like object into a feature matrix
bin700(): 700-bin Zacharias 2013 feature matrix
fit_mdm() benchmark() experimental: Metabodecon Models
predict(<mdm>) print(<mdm>) coef(<mdm>) plot(<mdm>) summary(<mdm>) print(<summary.mdm>) experimental: S3 methods for mdm objects

Functions to plot single and multiple spectra.

The spectrum and spectra classes and their methods.

is_spectrum() is_spectra() as_spectra() as_decon2() as_decons2() get_names(): Metabodecon Classes and Helpers

Bundled example datasets and functions to download and locate them.

sim: The Sim Dataset
sim2: The Sim2 Classification Dataset
sap: The SAP Dataset
datadir(): Return path to metabodeconplus's data directory
datadir_persistent(): Persistent Data Directory
datadir_temp(): Temporary Data Directory
tmpdir(): Temporary Session Directory
download_example_datasets(): Download metabodeconplus Example Datasets
metabodeconplus_file(): Return Path to File or Directory in metabodeconplus Package

Function to check for the optional Rust backend.

Utility functions, e.g. for converting between units or testing.

convert_pos() convert_width(): Convert from unit A to unit B
width(): Calculate the Width of a Numeric Vector
transp(): Make transparent
tree() tree_preview(): Print the Structure of a Directory Tree
headtail(): Show head and tail rows of a matrix-like object
evalwith(): Evaluate an expression with predefined global state
aaa_Get_Started() get_started(): Get URL of Metabodecon "Get Started" Page

Deprecated functions. They will be removed in a future release.