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Can not process 2D HSQC sample

Open hamed-musallam opened this issue 3 months ago • 7 comments

In this example, the issue is specific to the HSQC sample. It works correctly for the cosy and noesy samples.

Georg Heß; Peter Haiss; Dorothee Wistuba; Hans-Ullrich Siehl; Stefan Berger; Dieter Sicker; Klaus-Peter Zeller.zip

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hamed-musallam avatar Sep 23 '25 13:09 hamed-musallam

@jobo322

Can you check this issue?

hamed-musallam avatar Sep 23 '25 13:09 hamed-musallam

@lpatiny, The experiment HSQC looks to no be completed, because the number of FID in the indirect dimension is only 101 instead of a power of two, the next could 128. Topspin fill the TD with 256.

Is it technically correct? that we complete all the rest of the number with zeros?

jobo322 avatar Sep 29 '25 15:09 jobo322

the result of automatic processing by filling the missing rows

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jobo322 avatar Sep 29 '25 15:09 jobo322

Looks good to me. But why the ZF gives an error. It should not be important if there are only 101 spectra.

lpatiny avatar Sep 29 '25 17:09 lpatiny

The ZF in the first dimension does not give an error, the error appears in the FFT because the HSQC is acquired in echo-antiecho, and we processes this quadrature in the first FFT.

jobo322 avatar Sep 30 '25 13:09 jobo322

@jobo322 Do you have a solution to this issue ?

lpatiny avatar Oct 27 '25 13:10 lpatiny

Yes, it would fixed If we completed the number of rows to at least 128. Let me open a PR with the fix.

jobo322 avatar Oct 27 '25 13:10 jobo322