nmr_align: Align NMR spectra

View source: R/nmr_detect_peaks_align.R

nmr_alignR Documentation

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.