ABSTRACT Refinement of atomic models is a necessary step in solving the macromolecular structure by X-ray diffraction methods. Nowadays, high automation and well-developed interfaces give a possibility to use the most popular refinement programs as black boxes. Nevertheless, working with complex objects requires an understanding of the internal structure and principles of operation of these programs and critical assessment of the results of refinement. In this review, we discuss the basic principles of the organization of refinement programs and the history of their improvement and development, as the studied objects became more and more complicated. The discussions are kept at the level of basic mathematic knowledge avoiding unnecessary formalism and too detailed expressions.

中文翻译：

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大分子原子模型的晶体学细化介绍

摘要 原子模型的细化是通过 X 射线衍射方法求解大分子结构的必要步骤。如今，高度自动化和完善的接口使将最流行的细化程序用作黑匣子成为可能。然而，处理复杂对象需要了解这些程序的内部结构和操作原理，并对改进结果进行批判性评估。在这篇综述中，我们讨论了细化程序组织的基本原则及其改进和发展的历史，因为研究对象变得越来越复杂。讨论保持在基础数学知识层面，避免不必要的形式主义和过于详细的表达。