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Adaptation of accepted signals to be sent to NMRshiftdb #34

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nicolejung opened this issue Dec 11, 2021 · 0 comments
Open

Adaptation of accepted signals to be sent to NMRshiftdb #34

nicolejung opened this issue Dec 11, 2021 · 0 comments

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@nicolejung
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At the moment, we can send only as many signals to NMRshiftbd as predicted by NMRshiftdb. If the predicted number is not correct, then we can't compare the NMR shifts. Therefore, the number of accepted signals should be increased to the number of atoms of the structure (H or C).
We need to check how the number of expected signals is calculated: does it come from NMRshiftdb or is it gained by chemspectra based on the values provided by nmrshiftbd (then we see probably a problem arising from accuracy)

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