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Improve isotopic pattern matching based on resolution #96

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hechth opened this issue Jun 29, 2022 · 0 comments
Open

Improve isotopic pattern matching based on resolution #96

hechth opened this issue Jun 29, 2022 · 0 comments

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@hechth
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hechth commented Jun 29, 2022

The rcdk computes the isotopic pattern without merging peaks based on resolution - this should be done to have a better match on the isotope abundances.
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@hechth