Dataset: How Wastewater Composition and Isolation Workflow Shape Raman-Based Bacterial Phenotyping

The description of the database can be found in the publication: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy xxx (2026) 128097 (DOI 10.1016/j.saa.2026.128097) Raman spectra of single bacterium cells were measured with an excitation wavelength of 532 nm. Each cell was measured in duplicate by the system The data description is as follows: Bacterial strains used: Species Strain Label Pseudomonas aeruginosa UK 007 P. aeruginosa UK 007 Enterococcus faecium UK 005 E. faecium UK 005 Enterococcus faecalis UK 003 E. faecalis UK 003 Escherichia coli UK 014 E. coli UK 014 Acinetobacter baumannii UK 011 A. baumannii UK 011 Datasets: Folder structure: Raw = raw data acquired from the measuring device; Processed = sorted and pre-processed data with a metadata Excel file for Ramanmetrix. In each folder structure the conditions are: Agarose = all data collected from the synthetic wastewater supplemented with agarose hydrogel, Tapioca = all data collected from synthetic wastewater supplemented with tapioca hydrogel, Control (no filtration) = all data collected from synthetic wastewater without hydrogel and without filtration during isolation, Control (with Filtration) = all data collected from synthetic wastewater without hydrogel and with filtration during isolation. At least 80 single-cell Raman spectra were acquired per sample batch; Calibration standard: 4AAP. Data structure for Ramanmetrix can be found in the metadata files in each “Processed” folder as a zip file. Individual spectra are organized in folders according to their acquisition date.