set_conservative_bounds: Set conservative bounds on an NMRScaffold1D or NMRScaffold2D...

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

Description

A convenience function that sets reasonable bounds on the fit. These bounds are assumed to be widely applicable to most simple NMR data. Each set of bounds can be turned on or off as necessary.

Usage

set_conservative_bounds(object, position = TRUE, height = TRUE,
  width = TRUE, baseline = TRUE, phase = TRUE, widen = FALSE, ...)

## S4 method for signature 'NMRScaffold1D'
set_conservative_bounds(object,
  position = TRUE, height = TRUE, width = TRUE, baseline = TRUE,
  phase = TRUE, widen = FALSE)

Arguments

object	An NMRScaffold1D or NMRscaffold2D object with NMR data attached.
position	TRUE to prevent peaks from leaving the peak area and to keep initial positions to within 20 percent of the initial values. FALSE to disable.
height	TRUE to prevent negative peaks and limit peak height to 50 percent of the maximum peak value. FALSE to disable.
width	TRUE to set a minimum peak width of 0 Hz and a maximum peak width of 3 Hz. FALSE to disable.
baseline	TRUE to prevent the baseline from exceeding 25 percent of maximum peak height in the original data. FALSE to disable.
phase	TRUE to limit phase correction within 45 degrees. FALSE to disable.
widen	FALSE to prevent new bounds from widening existing bounds.
...	Additional arguments passed to inheriting methods.

Value

A new NMRScaffold1D or NMRScaffold2D object with modified parameters.

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