apk: Autophase NMR Data with constraints (using a VERY CRUDE...

In jmstrat/NMR.Utils: Importing and processing Bruker NMR data

Description

This function phases (complex) NMR data.

Usage

apk(spectrum, p0_optim_x_range, p1_optim_x_range, pivot, p0_optim_range,
  p1_optim_range)

apk_values(spectrum, p0_optim_x_range, p1_optim_x_range, pivot,
  p0_optim_range, p1_optim_range)

apkpseudo2d(spectra, p0_optim_x_range, p1_optim_x_range, pivot,
  p0_optim_range, p1_optim_range)

apkpseudo2d_values(spectra, p0_optim_x_range, p1_optim_x_range, pivot,
  p0_optim_range, p1_optim_range, .progress = NA)

Arguments

spectrum	A (complex) dataframe of NMR data (single scan)
p0_optim_x_range	x range over which to optimise the p0 value (ppm)
p1_optim_x_range	x range over which to optimise the p1 value (ppm)
pivot	Pivot point for 2nd-order phase correction coefficient (ppm)
p0_optim_range	range over which the p0 value can vary
p1_optim_range	range over which the p1 value can vary
spectra	(complex) dataframe containing spectra

Value

A data frame containing the phased NMR data (ppm,intensity)

Examples

apk(data, c(-200, 200), c(1000, 1300), 0, c(-50, 50), c(-5, 0))
apk(data)
apkpseudo2d(data, c(-200, 200), c(1000, 1300), 0, c(-50, 50), c(-5, 0))

jmstrat/NMR.Utils documentation built on July 14, 2019, 11:35 p.m.