fix: correct invalid species cross-references - #1029
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Move mis-filed identifiers to their correct annotation field so no cross-reference is lost, and assign the correct KEGG identifiers.org namespace on export. metabolites.tsv: - move 10 KEGG glycan IDs (G-numbers) from the ChEBI field to the KEGG field (each metabolite already has its KEGG compound ID) - move CE2416, an EHMN ID, from the KEGG field to the EHMN field - set the water[i] metabolite (MAM02040i) MetaNetX ID to MNXM2, matching the other eight compartments - clear the placeholder MetaNetX ID "BIOMASS" on the biomass metabolites (MAM03970, MAM03971), which have no MetaNetX ID reactions.tsv: - move HMR_3422, an HMR2 ID, from the MetaNetX field to the HMR2 field of MAR05383 (MAR03422 no longer exists and is listed among its retired IDs) annotateGEM.m: - assign kegg.drug to KEGG drug IDs (Dxxxxx) and kegg.glycan to KEGG glycan IDs (Gxxxxx) instead of kegg.compound when building metabolite MIRIAMs Exported model files (.xml, .xlsx, ...) are regenerated from these sources at release.
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This PR has been automatically tested with GH Actions. Here is the output of the MACAW test: Starting dead-end test... This and a more detailed output from MACAW are also committed to
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Only changes to identifiers, no structural changes. |
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Main improvements in this PR:
As reported in #1023, several species and one reaction carried identifiers in the wrong annotation field, producing invalid identifiers.org URLs. Each misfiled identifier is moved to its correct field so no cross-reference is lost, and the KEGG export namespace is corrected.
metabolites.tsv: move 10 KEGG glycan IDs (Gxxxxx) from the ChEBI field to the KEGG field; moveCE2416(an EHMN ID) from the KEGG field to the EHMN field; set the water[i]metabolite (MAM02040i) MetaNetX ID toMNXM2to match the other compartments; clear the placeholderBIOMASSMetaNetX ID on the biomass metabolites (MAM03970, MAM03971).reactions.tsv: moveHMR_3422(an HMR2 ID) from the MetaNetX field to the HMR2 field of MAR05383.annotateGEM.m: assignkegg.drugto KEGG drug IDs (Dxxxxx) andkegg.glycanto KEGG glycan IDs (Gxxxxx) instead ofkegg.compound.The exported model files (
.xml,.xlsx, ...) are regenerated from these sources at release.I hereby confirm that I have:
developas a target branch