ZD-MAST: a two-site, two-platform MALDI-TOF mass spectra and antimicrobial susceptibility benchmark

ZD-MAST is a de-identified two-site, two-platform benchmark linking MALDI-TOF mass spectral representations with phenotypic antimicrobial susceptibility testing. The release contains 64,611 sample-level feature rows and 79,713 open spectral tables, including 70,336 spectra from ZD-MAST-A and 9,377 from ZD-MAST-B. It provides sample- and spectrum-level 6,000-dimensional continuous-intensity and peak-presence representations, public metadata, 59,978 historical sample-task labels for a ten-task organism-antimicrobial evaluation panel, 52,819 parallel CLSI M100-harmonized label rows, patient-cluster and episode groupings, frozen analysis splits, and a broader extension containing 1,117,585 linked AST measurement rows and 1,117,719 sample-organism-antimicrobial label rows.ZD-MAST-A preserves sparse peak-list-like m/z-intensity values from vendor-processed mzML exports. ZD-MAST-B provides converted dense m/z-intensity profiles derived from proprietary source files; vendor-native binary files are not redistributed. Both sites used the same laboratory-confirmed VITEK 2 phenotypic AST workflow, while MALDI platform, spectral preprocessing, laboratory site, and isolate population differed. Equal feature dimensions therefore do not imply identical source-spectrum semantics.All public identifiers are randomly assigned release identifiers. Original patient and sample identifiers, exact timestamps, private identifier maps, source filenames, private filesystem paths, vendor-native binaries, proprietary databases, private prediction rows, and licensed CLSI source tables are excluded. The dataset is intended for research and benchmarking and is not cleared for direct clinical decision-making. Code repository: https://github.com/weixu-cestbon/ZD-MAST Code release: https://github.com/weixu-cestbon/ZD-MAST/releases/tag/v1.0.0-rc2 Ethics approval: Ethics Committee of Zhongda Hospital, Southeast University, approval no. 2023ZDSYLL292-P01.Funding: National Natural Science Foundation of China grant 82373781; Jiangsu Provincial Medical Key Discipline (Laboratory) Cultivation Unit grant JSDW202240; Jiangsu Provincial Key Laboratory of Critical Care Medicine grant JSKLCCM202202015.