Revision as of 16:53, 26 July 2017

Signal attributes for 1D spectra should come in this order:

N= number of nuclei (rounded number of proton)
L= Label (of the signal)
S= Multiplicity
J= Coupling
E= Integral (crude integrals)
I= Intensity
T1= T1 relaxation time in second
T2= T2 relaxation time in second
Diff= for diffusion rate in m2/s-1

Examples of use in 1D ¹H spectra

Example of use in 1D ¹³C spectra

N= number of nuclei

Number of nuclei (1 for CH, 3 for CH3)

L= Label

Lhe label (according to list in the <NMR_SIGNALS> tag.

S= Multiplicity

Multiplicity

In case of overlap, second-order effects, use "m". This is meant to be the apparent multiplicity. For example a dd with similar coupling will look as a triplet, can be called "t".

J= Scalar coupling

Couplings in Hz with one digit after the period separated by the separator.

J=9.3, 4.8

following the couplings labels may be given in parenthesis to assign the coupling.

For a signal assigned to "a",

J=7.0(b) 

means:J(a,b)=9.3 Hz

J=9.3(b), 4.8(c) 

means: J(a,b)=9.3 Hz J(a,c)=4.8 Hz

See also, <NMREDATA_J> tag where assigned coupling should be compiled.

I= Signal intensity

I intensity (in arbitrary unit).

T1= Relaxation time

Results of relaxation measurements, T1, T2, etc. can be given in seconds as:

4.8, S=q, E=2, L=a, T1=0.7