Description Usage Arguments Author(s)
Merges reactions with identical mass difference within eps
to avoid creating duplicate reaction products.
Of multiple reactions, the "simplest" one will be kept, i.e. if one is already combined (contains a separator as specified
by sep
and the other is not, the "shorter" path will be kept.
1 | consolidateReactions(reactions, eps = 2e-04, sep = "-")
|
reactions |
Data frame with |
eps |
Merging margin, absolute |
sep |
Reaction separator token to filter/count for priority |
stravsmi
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