After identifying the phases present in the melt crystallisation product, the crystal structure of each phase was solved following the workflow implemented in edtools. Only the datasets that could be indexed without inputting unit cell parameters were merged for structure solution to demonstrate the autonomous capability of the method. The datasets in each cluster were scaled and merged, and a second stage HCA based on correlation coefficient values (Eq. S2), which characterise the correlation of intensities of common reflections between datasets, was then run. After a cut-off of 0.3 (corresponding to CC=91) was chosen (Figure ), a merged hkl file of the selected datasets was created for structure solution. The crystal structure of each phase was solved ab initio using SIR2014 and refined using SHELXL . The crystallographic and refinement data are reported in Table .