Range picking crashing #4355

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1. github-project-automation

   added this to NMR and Cheminfo projects organisationon Sep 1, 2026
2. lpatiny

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   jobo322

   on Sep 1, 2026
3. targos commented on Sep 1, 2026

   

   targos

   on Sep 1, 2026

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   The combinations quickly explode.
   Luc is wondering why this part of the code is so complex.
4. lpatiny commented on Sep 1, 2026

   

   lpatiny

   on Sep 1, 2026

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   I would just take the possible candidates to match the first peak and the possible candidates to match the second peak and then evaluate all the possibilities based on the J between those 2 peaks and try to match the rest "precisely". For 13C the 1Hz seems reasonable.
5. jobo322 commented on Sep 3, 2026

   

   jobo322

   on Sep 3, 2026

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   This function uses brutal force combination, and there is several noise taken as peaks, I am looking a better implementation.
6. jobo322 commented on Sep 3, 2026

   

   jobo322

   on Sep 3, 2026

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   You can see the peaks around the solvent signal

   
7. jobo322 commented on Sep 16, 2026

   

   jobo322

   on Sep 16, 2026

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   The new version of nmr-processing was updated in:

   • chore: update ml-peak-shape-generator to v5.6.0 #4378
8. jobo322

   closed this as completedon Sep 16, 2026
9. github-project-automation

   moved this to 🟢 Done in NMR and Cheminfo projects organisationon Sep 16, 2026