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Figure 6
Another attempt to solve the structure of sample 3 after truncating the data resolution to 1 Å. Step 1: place a single benzene ring with its center at (0.3, 0.3, 0.3) and with its orientation determined by the deepest hole in a pR1 map of a three-dimensional orientation space. Step 2: using sR1, extend the model to 30 and to 80 atoms, and keep a recognizable fragment. Step 3: repeat step 2. Step 4: using sR1, extend the model to 30, to 80 and to 156 atoms, and delete the ghost atoms. Step 5: using sR1, extend the model to 156 atoms.

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ISSN: 2053-2733
Volume 80| Part 3| May 2024| Pages 237-248
https://doi.org/10.1107/S2053273324001554
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