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Smart multiplet analysis #2571

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lpatiny opened this issue Aug 3, 2023 · 4 comments · Fixed by #2668
Closed

Smart multiplet analysis #2571

lpatiny opened this issue Aug 3, 2023 · 4 comments · Fixed by #2668
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enhancement New feature or request

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@lpatiny
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lpatiny commented Aug 3, 2023

when doing manual range picking the number of points may be to big and this prevents the smart multiplet analysis.

2023-08-03 22 35 15

Could we in this case just have a fallback to the non smart multiplet analysis like we do when we analyse globally the spectrum ?

@jobo322 I think you could help Hamed to implement this fix or tell me if there are some issues.

@jobo322
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jobo322 commented Aug 4, 2023

I think the limitation in the number of points is due the optimization of shape parameters.

@lpatiny lpatiny mentioned this issue Aug 6, 2023
@hamed-musallam
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@jobo322

what is the status of this issue, can you check this with Luc ?

@lpatiny
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lpatiny commented Aug 24, 2023

When we have too many points we can not apply https://github.com/cheminfo/multiplet-analysis but we can still use the normal method. This is not related to optimization of shape parameters I think.

@jobo322
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jobo322 commented Sep 18, 2023

There is a PR migrating from multiplet-analysis to normal range picking. so it could be closed at the moment to merge this PR

@jobo322 jobo322 linked a pull request Sep 18, 2023 that will close this issue
@jobo322 jobo322 moved this from 🔴 Todo to 🟠 In Progress in NMR and Cheminfo projects organisation Sep 18, 2023
@github-project-automation github-project-automation bot moved this from 🟠 In Progress to 🟢 Done in NMR and Cheminfo projects organisation Nov 24, 2023
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3 participants