Preprocessing Functions

The streamlining function the combines all data manipulation and estimation functions into one

bl()

Baseline Correction

cali()

Chemical Shift Calibration

preproc()

Streamlined 1D NMR Preprocessing

read_in()

Import 1D NMR spectra

Data Manipulation Functions

The functions used in preproc() to maninpulate the spectra

binin()

Spectral data binning

flip()

Flip the Spectra

Estimation Functions

Functions used to estimate properties and regions of the spectra

get_idx()

Get Index

lw()

Full Width at Half-Maximum

noise()

Maximum Noise Estimation

shift_pickr()

Peak-Picking

Normalisation Functions

Reference-Based

Normalises spectra in relation to a reference

hmNorm()

Histogram Matching

pqNorm()

Probabilistic Quotient Normalisation

q2Norm()

Quantile/PQN Normalisation

xfNorm()

Normalisation based on an External Factor

Attribute-Based

Normalises spectra based on an attribute they share (i.e., a specific peak or area of the spectra)

creNorm()

Creatinine Normalisation

q1Norm()

Quantile Normalisation

roiNorm()

Region of Interest Normalisation

taNorm()

Total Area Normalisation

vecNorm()

Vector Length Normalisation