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Figure 3
Flow chart of the ComQum-U program. S1 and S2 denotes systems 1 and 2. Steps in bold constitute the actual ComQum-U interface. Steps in italics are performed by the crystallographic refinement program (nCNS), whereas those that are underlined are run by the QM program. The whole procedure is driven by a Linux shell script.

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ISSN: 2059-7983
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