Revision as of 15:14, 13 July 2017

N= number of nuclei

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

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

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"

Couplings in Hz with one digit after the period separated by the separator (", " or ",").

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

I intensity (in arbitrary unit).

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

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

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

@@ Line 4: / Line 4: @@
 Lhe label (according to list in the <NMR_SIGNALS> tag.
 = S= Multiplicity =
-Integral (normalized or not – this may be crude experimental integral)
+Multiplicity
-Dtructure of the signal (multiplicity – ‘s’, ’d’, ’dd’, ’td’, etc. add ‘b’ for broad- e.g. : ‘bs’ or ‘sb’ means broad singlet, ‘m’ for multiplet)
 {| class="wikitable"
 |+multiplicity
@@ Line 27: / Line 26: @@
 |multiplet
 |}
+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 =