At this moment, the added and substracted mol·lecules are determined by the user in two simple vectors. It is worth considering using the built in "adducts" data frame as it includes the standard notation (e.g. "M+H"). My understanding of the chemical implications of this change should be discussed with Maria and Pere.
At this moment, the added and substracted mol·lecules are determined by the user in two simple vectors. It is worth considering using the built in "adducts" data frame as it includes the standard notation (e.g. "M+H"). My understanding of the chemical implications of this change should be discussed with Maria and Pere.