Build PAVE vs TRACE adduct selection comparison data — compare_pave_adduct

For features in the same TRACE CN group (`seed_trace`), classify each feature as `M/M`, `M/A`, `A/M`, or `A/A` based on TRACE and PAVE metabolite versus adduct annotation (`TRACE/PAVE`).

Usage

compare_pave_adduct_data(pave.trace.merged, object, i.pol = 0)

Arguments

pave.trace.merged: Data frame from a PAVE/TRACE feature merge.
object: MSdev object with xcms results.
i.pol: Polarity index. `0` for negative and `1` for positive.

Value

A data frame with CN-group features, `ma_group`, adduct labels, and `intensity`.