Difference between revisions of "1D attributes"
From NMReDATA
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J=9.3(b), 4.8(c) | J=9.3(b), 4.8(c) | ||
means: J(a,b)=9.3 Hz J(a,c)=4.8 Hz | means: J(a,b)=9.3 Hz J(a,c)=4.8 Hz | ||
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See also, <NMREDATA_J> tag where assigned coupling should be compiled. | See also, <NMREDATA_J> tag where assigned coupling should be compiled. | ||
Revision as of 18:13, 25 July 2017
Contents
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
| s | singlet |
| d | doublet |
| t | triplet |
| q | quartet |
| bs | broad singlet |
| m | 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
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
