annotate_source
Append metabolite identifiers (KEGG, HMDB, ChEBI, PubChem, InChIKey) to the original intensity matrix by matching compound names, creating annotated .xlsx and .tsv files.
Instructions
Append the final ID-result columns to the ORIGINAL data file — the intensity matrix keeps all its columns and gains ID_final_class / ID_confidence / ID_kegg / ID_hmdb / ID_chebi / ID_pubchem / ID_inchikey / ID_gem_mam per compound (matched by name).
Uses the source recorded by ingest_names if source is omitted. header is the 0-based
header row (some vendor sheets have a preamble row, e.g. header=1). Writes _annotated
.xlsx + .tsv into the workdir.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| out | No | ||
| sheet | No | ||
| header | No | ||
| source | No | ||
| workdir | Yes | ||
| name_column | No |