Difference between revisions of "1D attributes"
m (→S= Multiplicity) |
(→S= Multiplicity) |
||
| Line 9: | Line 9: | ||
|+multiplicity | |+multiplicity | ||
|- | |- | ||
| − | | | + | |s |
| − | | | + | |singlet |
|- | |- | ||
| − | | | + | |d |
| − | | | + | |doublet |
|- | |- | ||
| − | | | + | |t |
| − | | | + | |triplet |
| + | |- | ||
| + | |q | ||
| + | |quartet | ||
| + | |- | ||
| + | |bs | ||
| + | |braod singlet | ||
|} | |} | ||
Revision as of 15:11, 13 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
Integral (normalized or not – this may be crude experimental integral) 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)
| s | singlet |
| d | doublet |
| t | triplet |
| q | quartet |
| bs | braod singlet |
J= Scalar coupling
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= Signal intensity
I intensity (in arbitrary unit).
See also, <NMREDATA_J> tag where assigned coupling should be compiled.
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
