Time constant 2D spectrscopy

[UE]

I attach to this letter two programs, both of them  are based on one dimension being part of time constant interval This interval consists of a period where the coherence is single quantum while the part of it is zero quantum.

1.  The program 1H_CS_ZQ_2D_res creates in the indirect dimension an artifact that looks  like a saw.

2. On the hand the program 1H_CS_ZQ_2D_2zer_res  where the first dimension doesn't include zero filling and  is  apparently OK

 

In both dimension I used large enough LB so that trunction doesn't seem to be a problem

 

 

An advice please

 

UE

 

[Mikhail Veshtort]

Dear UE,

Since your pulse sequence has D1 of constant duration, the line broadening you specified has no effect – because it dampens each data point by exactly the same factor. Thus, a saw-looking spectrum is quite justified if you do a zero-fill in D1.

You can play with the option -dw to access other modes of computing these things.

I noticed, however, that the explanation of this option in the Reference Manual is obsolete, inaccurate, and not very clear. So I've edited it as follows (which will be reflected in the new version of the Manual):

–dwnm...

Include the pulse sequences n, m, ...  in the calculation of the time variable(s) t1 (for 1D pulse sequences) or t1 and t2 (for 2D pulse sequences). These variables label the data in the dimensions of the pulse sequence and are also used in the computation of the line broadening specified at the line_broaden(Hz) line. By default, all non-D0 sequences are included in the calculation of t1 and t2. For example, in the pulse sequence

timing(usec)  (100)256  100  (100)-256

t1 will be  (0.1 0.2 0.3 ... )

if the option –dw12 is specified, and it will be (25.5 25.5 25.5 ... )

by default.

Best regards,

Mikhail

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<1H_CS_ZQ_2D_res.txt><1H_CS_ZQ_2D_2zer_res.txt>