set_peak_type: Convert an NMRScaffold1D or NMRScaffold2D object to a...

In ssokolen/rnmrfit: Robust NMR Lineshape Fitting in the Frequency Domain

Description

As the various peak representations have different parameters, Converting between different peak types is not always trivial. This function ensures that conversions are reversible and path independent (switching directly from lorenz to voigt will be the same as switching from lorenz to gauss to voigt). Each conversion preserves the area of the peak and modifies either the width or height. Switching from pvoigt to lorenz or gauss preserves overall peak height, while switching from voigt to lorenz or gauss preserves overall peak width. To go in the reverse direction, it's necessary to specify what fraction of the original height or width should remain attributed to the lorenz line shape.

Usage

set_peak_type(object, peak.type, frac.lorenz = 0.9, ...)

## S4 method for signature 'NMRScaffold1D'
set_peak_type(object, peak.type,
  frac.lorenz = 0.9)

## S4 method for signature 'NMRFit1D'
set_peak_type(object, peak.type, frac.lorenz = 0.9)

Arguments

object	An NMRScaffold1D or NMRScaffold2D object.
peak.type	Target peak.type – one of lorenz, gauss, pvoigt, or voigt.
frac.lorenz	If converting from lorenz or gauss to pvoigt or voigt, the fraction of the output peak that is expected to be lorenz. Ignored for the reverse conversion.
...	Additional arguments passed to inheriting methods.

Value

An NMRScaffold1D or NMRScaffold2D object with the new peak_type and modified parameters.

ssokolen/rnmrfit documentation built on May 23, 2019, 1:48 p.m.