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Figure 3
Structure solution and refinement workflow. The yellow portion corresponds to the part executed within OLEX2. File·INS indicates a new or revised structural model in the INStruction file. The P4P file contains the unit cell parameters, HKL – diffraction data, INS – SHELXS/SHELXL instructions for structure solution and then refinement, LST – a detailed structure solution/refinement program output, CIF – the structural data in the IUCr-specified format.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 82| Part 1| January 2026| Pages 107-120
https://doi.org/10.1107/S2056989025010527
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