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Figure 2
Deformation density maps for high-quality [PT-2(Cl)] and low-quality [PT-8(Br)] data without intensity cut-off. Contour level: 0.05 e Å−3. Colours: blue – positive, red – negative. (a) PT-2(Cl), MM (freeXH), harmonic. (b) PT-2(Cl), XCW, harmonic. (c) PT-8(Br), MM, harmonic. (d) PT-8(Br), XCW, harmonic. |
IUCrJ
ISSN: 2052-2525
MATERIALS | COMPUTATION
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