Can not process 2D HSQC sample

[hamed-musallam]

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

[hamed-musallam]

@jobo322

Can you check this issue?

[jobo322]

@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]

the result of automatic processing by filling the missing rows

[lpatiny]

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

[jobo322]

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.

[lpatiny]

@jobo322 Do you have a solution to this issue ?

[jobo322]

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

[jobo322]

@lpatiny, There is a PR for zero-filling data with a length not a power of two. There is a case that affects the FFT dimension 1 with an incomplete acquisition experiment. Particularly in echo-antiecho quadrature. It needs an even number of spectra. So we have two options:

1. Ignore the incomplete slice; in the current case (101 rows) keep the first 100 rows.
2. Add a zero-filled row to complete the 102 rows and continue with the echo-quadrature.

Personally, I am with the first option.

[lpatiny]

Yes indeed the first option seems the best.