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Reads a curated assignment table (e.g. compare_pave_assigment.xlsx) and adds metabolite names from chem_lib / cpdb for compound_id_pave and compound_id_trace.

Usage

compare_pave_trace_diff_metabolite_data(
  assignment,
  chem_lib_path = NULL,
  cpdb_path = NULL
)

Arguments

assignment

Path to assignment xlsx or data frame with feature_id, type, reason, compound_id_pave, and compound_id_trace.

chem_lib_path

Optional path to chem_lib.xlsx.

cpdb_path

Optional TRACE compound-database xlsx with compound_id and name. Used when chem_lib_path is NULL.

Value

Data frame with columns feature_id, type, reason, PAVE_metabolite_id, PAVE_metabolite_name, TRACE_metabolite_id, and TRACE_metabolite_name.