Processed data associated with the structure determination of carmine

This Zenodo entry is comprised of the following datasets: 1. The folder "Carmine_SHELX.zip" contains several files pertaining to the integrated 3D ED data. It contains output files from SHEXLT for the initial structure solution, with attempted space groups of (a) I4(1)/a, (b) I4(1), (c) I-4. The zip folder also contains two CIFs, each being a slightly refined structure solution (mainly changes in atom assignments), refined over 50 refinement cycles to show the stability of the butterfly-shaped motif upon further refinement. The structure appears better resolved in I4(1)/a due to the higher order Laue group (4/m). Due to the limited resolution of the 3D ED data, the structure was further refined against powder X-ray diffraction data (CCDC 2371686). Raw data can be found as Zenodo record 14278562 (DOI: 10.5281/zenodo.14278562).