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Feature/DIMS_adductsum_perclass - #129

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feature/DIMS_adductsum_perclass
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Feature/DIMS_adductsum_perclass#129
mraves2 wants to merge 3 commits into
developfrom
feature/DIMS_adductsum_perclass

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@mraves2

@mraves2 mraves2 commented Aug 28, 2026

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In this feature, the DIMS pipeline is modified so that the adducts that are summed are variable instead of fixed.
For example, acyl carnitines are naturally positively charged, so they will never form Na- or K-adducts. The default of M+H, M+Na and M+K is incorporated into the database for all metabolites except acyl carnitines, which keep only M+H in positive scan mode.

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