Difference between revisions of "2D attributes"
From NMReDATA
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Ja=9.30, 4.80 | Ja=9.30, 4.80 | ||
means the active coupling (between ''i'' & ''j'') is 9.3 Hz | means the active coupling (between ''i'' & ''j'') is 9.3 Hz | ||
| − | === J1/J2= | + | === J1/J2= Passive scalar coupling === |
For a spin ''i'': | For a spin ''i'': | ||
J1=9.30 | J1=9.30 | ||
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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. | ||
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Revision as of 17:54, 4 August 2017
Contents
Generalities
The attributes list the caracteristics of signals found in 2D spectra. List of signal attributes ("D spectra)
Note that they should apear in this order!
L1= Label of the signal in F1 (string) L2= Label of the signal in F2 (string) E= Volume (crude integrals) (float) I= Intensity (float) Ja= Active scalar coupling (string) J1= F1 passive coupling (string) J2= F2 passive coupling (string)
Examples
Examples of a correlation between spins a and b
a/b
Attributes
L= Label
The labels in F1 and F2 (according to list in the <NMR_SIGNALS> tag).
Scalar coupling
Ja= Active scalar coupling
Couplings in Hz with two digits after the period separated by the separator. For a correlation between i & j (F1 first):
Ja=9.30, 4.80
means the active coupling (between i & j) is 9.3 Hz
J1/J2= Passive scalar coupling
For a spin i:
J1=9.30
means: i is coupled to a spin (not the active coupling) with J=9.3 Hz
For a correlation between i & j:
J1=9.30(b)
means:J(i,b)=9.30 Hz in the F1 dimension.
For a crosspeak between i and j:
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.
