Difference between revisions of "2D attributes"

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(Generalities)
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  [[#J1/J2= Passive scalar coupling|J1= F1 passive coupling]] ('''''string''''')
 
  [[#J1/J2= Passive scalar coupling|J1= F1 passive coupling]] ('''''string''''')
 
  [[#J1/J2= Passive scalar coupling|J2= F2 passive coupling]] ('''''string''''')
 
  [[#J1/J2= Passive scalar coupling|J2= F2 passive coupling]] ('''''string''''')
  [[#W1/J2= Signal width|W1= F1 signal width]] ('''''string''''')
+
  [[#W1/J2= Signal width|W1= F1 signal width]] ('''''float''''')
  [[#W1/J2= Signal width|W2= F2 signal width]] ('''''string''''')
+
  [[#W1/J2= Signal width|W2= F2 signal width]] ('''''float''''')
  
 
= Examples attributes of 2D signal =
 
= Examples attributes of 2D signal =

Revision as of 08:18, 6 August 2017

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!

I= Intensity (float)
E= Volume (crude integrals) (float)
Ja= Active scalar coupling (string)
J1= F1 passive coupling (string)
J2= F2 passive coupling (string)
W1= F1 signal width (float)
W2= F2 signal width (float)

Examples attributes of 2D signal

Examples of a correlation between spins a and b

a/b
a/b, I=133.6

If the signal is not assigned, the chemical shift replaces the labels

1.5402/1.4423 I=133.6

Attributes

I= Signal intensity

This provides the signal intensity

E= Signal Volume

This provides the signal volume

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):

i/j, Ja=9.30, 4.80

means the active coupling (between i & j ) is 9.3 Hz

J1/J2= Passive scalar coupling

For a correlation between i & j :

i/j, 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 :

i/j, J1=9.30(b)

means:J(i,b)=9.30 Hz (in the F1 dimension).

For a crosspeak between i and j :

i/j, J=9.3(b), 4.8(c) 

means: J(i,b)=9.3 Hz J(j,c)=4.8 Hz

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

W1/J2= Signal width

Signal widht in F1/F2 in Hz