Supplementary Data for: Multi-omics investigation of metabolomic and microbial features in bacterial vaginosis

This record contains the Supplementary Data files for the manuscript "Multi-omics investigation of metabolomic and microbial features in bacterial vaginosis" (npj Women's Health). These are the supplementary tables that were too large or too wide to include in the merged Supplementary Information PDF; each file's Title and Legend appears in that PDF. Supplementary Figure 1 and Supplementary Tables 1–12 are provided in the Supplementary Information PDF and are not included here. Files:• Supplementary Data 1 (Supplementary_Data_1_LC-MS_panel.xlsx): Targeted LC-MS metabolomics panel — retention times and MS/MRM parameters for the 191 reported compounds, with identification level, MRM transitions, and database identifiers (KEGG, HMDB, PubChem, InChI, CAS, molecular formula and weight).• Supplementary Data 2 (Supplementary_Data_2_screened_compounds.xlsx): The 72 polar compounds screened but not reported, with reason for exclusion and the same identifier fields as Supplementary Data 1.• Supplementary Data 3 (Supplementary_Data_3_Gardnerella_MAG_metrics.xlsx): Gardnerella MAG quality and assembly metrics for all 61 recovered MAGs (CheckM2 completeness/contamination, GTDB-Tk species, assembly statistics, gene counts).• Supplementary Data 4 (Supplementary_Data_4_gene-metabolite_correlations.csv): Full gene–metabolite Spearman correlation matrix for the Gardnerella shell genome (320,292 pairs; 16 with q < 0.05). Raw shotgun metagenomic sequencing data are available at the European Nucleotide Archive (ENA) under accession PRJEB108308. Analysis code is available at https://github.com/ruqse/mitch_manuscript.