Difference between revisions of "1D attributes"
From NMReDATA
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| − | + | ===== N= number of nuclei ===== | |
| + | more | ||
| + | ===== L= Label ===== | ||
| + | the label (according to list in the <NMR_SIGNALS> ta | ||
| + | ===== 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) | ||
| + | ===== 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 | ||
Revision as of 15:05, 13 July 2017
Contents
N= number of nuclei
more
L= Label
the label (according to list in the <NMR_SIGNALS> ta
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)
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
