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Issue with nmrshiftdb: values #35

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nicolejung opened this issue Dec 13, 2021 · 0 comments
Open

Issue with nmrshiftdb: values #35

nicolejung opened this issue Dec 13, 2021 · 0 comments

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@nicolejung
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We face this problem in ChemSpectra: Given the following signals counting: 5/5/10
5 - signals identified by multiplicity picking
5 - signals expected by NMRShiftdb
10- overall count of Protons in the Molecule
After checking with the nmrshift routine it turns out that NMRshiftdb expects 7 instead of 5 signals.

I can provide information from the colleague at NMRshiftbd, perhaps the reason for the wrong counting of "5- signals to be expected" is a question of digits considered by chemspectra

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