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
- 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()