ZIF Biocomposite Dataset for Phase Assignment, Crystallinity Analysis, ATR-IR Ratios, Encapsulation Efficiency, and Loading Capacity

This dataset contains characterisation and structured processed data for ZIF biocomposite synthesis experiments. The dataset covers 360 synthesis coordinates prepared in triplicate, corresponding to 1080 samples in total, across ternary precursor composition space, five total precursor concentrations, and two washing protocols. The archive includes powder X-ray diffraction pattern files, ATR-IR spectrum files, and a structured JSON dataset. The JSON file contains sample identifiers, synthesis composition descriptors, washing conditions, concentration values, PXRD-derived phase and crystallinity descriptors, ATR-IR-derived peak descriptors, encapsulation efficiency values, and loading capacity values. Data curation, processing, and organisation were performed by Aleksandar Kondinski at Graz University of Technology. Experimental data collection was primarily performed by Xue Chen at Graz University of Technology, with analytical contributions from project collaborators. This dataset is associated with the manuscript “Software-Controlled Syringe-Pump Synthesis for Reproducible Phase and Encapsulation Mapping in ZIF Biocomposites” (in preparation, 2026). Associated resources include the ZIF Biocomposite Analytics pipeline, the Automated Syringe Pump Dashboard, and the interactive ZIF Biocomposite Explorer App.