nmr_align: Align NMR spectra

In sipss/AlpsNMR: Automated spectraL Processing System for NMR

Align NMR spectra

Description

This function is based on speaq::dohCluster.

Usage

nmr_align(
  nmr_dataset,
  peak_data,
  NMRExp_ref = NULL,
  maxShift_ppm = 0.0015,
  acceptLostPeak = FALSE
)

Arguments

nmr_dataset	An nmr_dataset_1D
peak_data	The detected peak data given by nmr_detect_peaks.
NMRExp_ref	NMRExperiment of the reference to use for alignment
maxShift_ppm	The maximum shift allowed, in ppm
acceptLostPeak	This is an option for users, TRUE is the default value. If the users believe that all the peaks in the peak list are true positive, change it to FALSE.

Value

An nmr_dataset_1D, with the spectra aligned

See Also

Other alignment functions: Pipelines, nmr_align_find_ref()

Other peak alignment functions: nmr_align_find_ref()

sipss/AlpsNMR documentation built on Aug. 13, 2024, 5:11 p.m.