How to cite this Dataset
Adair, Lily R. and Cramer, Rainer (2025): Dataset to support 'Rapid multiplex antimicrobial resistance profiling and bacterial identification by LAP-MALDI MS biotyping'. University of Reading. Dataset. https://researchdata.reading.ac.uk/id/eprint/468
Description
This dataset contains raw and processed liquid atmospheric pressure matrix-assisted laser desorption/ionisation (LAP-MALDI) mass spectrometry data from thirteen bacterial species, five of which are Gram-positive. For two species, Klebsiella pneumoniae and Escherichia coli, both antibiotic-susceptible and antibiotic-resistant strains were analysed.
The LAP-MALDI workflow enabled antimicrobial resistance profiling, bacterial classification, and further characterisation via MS/MS protein sequencing.
Raw MS/MS protein data were processed using Mascot Distiller (version 2.8.5.1, 64-bit; Matrix Science, London, UK). The resulting protein fragment ion peak lists were submitted to the Mascot MS/MS Ions Search tool (version 3.1; Matrix Science) for protein characterisation and species identification.
The dataset also includes statistical modelling using principal component analysis (PCA), linear discriminant analysis (LDA) and cross-validation results.
All MS and MS/MS data were acquired using a Synapt G2-Si Q-TOF mass spectrometer coupled with a custom-built AP-MALDI source. All data presented were collected between 6 January and 11 February 2025.
| Resource Type: | Dataset |
|---|---|
| Creators: | Adair, Lily R.  ORCID: https://orcid.org/0009-0001-2652-9960 and Cramer, Rainer ORCID: https://orcid.org/0000-0002-8037-2511 |
| Rights-holders: | University of Reading |
| Data Publisher: | University of Reading |
| Publication Year: | 2025 |
| Data last accessed: | 8 November 2025 |
| DOI: | https://doi.org/10.17864/1947.000468 |
| Metadata Record URL: | https://researchdata.reading.ac.uk/id/eprint/468 |
| Organisational units: | Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry |
| Participating Organisations: | University of Reading |
| Keywords: | Liquid Atmospheric-Pressure Matrix-Assisted Laser Desorption/Ionisation (LAP-MALDI), mass spectrometry, bacteria, clinical microbiology, biotyping, antimicrobial resistance |
| Rights: | |
| Data Availability: | OPEN |
