NMRSignal1D-class: An S4 class for NMRSignal1D

In jwist/fusion: Fusion: Objects class definitions for metabolic profiling

An S4 class for NMRSignal1D

Description

An S4 class for NMRSignal1D

Value

a dataElement

Slots

peaks

a list of NMRPeak1D

nbAtoms

Number of atoms associated with the signal

integration

Raw non-normalized integration of the signal

chemicalShift

(optional) The chemical shift of the signal. Not always its center

multiplicity

(optional) A compiled NMR multiplicity pattern i.e: s|d|t|q|s,...|dd,...

shiftRange

(optional) Range of x-peaks variation. It is an absolute value. Should be positive

heightRangePer

(optional) Proportional range of y-peaks variation. Must be between 0 and 1

widthFactor

(optional) Width factor depending on the signal

shape

(optional) A peak shape for the different peaks conforming the signal. Internal components overrides this shape

diaIDs

(optional) A list of atom ids to which this signal is assigned.

analyte

(optional) The name/id of the analyte

validated

(optional) Validated by an expert?

type

The Class Name. Used for moving between S4 and JSON

id

(optional) Unique identifier

jwist/fusion documentation built on Jan. 25, 2024, 3:24 p.m.