Helliwell John R, McMahon Brian, Guss J Mitchell, Kroon-Batenburg Loes M J
School of Chemistry, University of Manchester, Manchester M13 9PL, England.
International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England.
IUCrJ. 2017 Oct 6;4(Pt 6):714-722. doi: 10.1107/S2052252517013690. eCollection 2017 Nov 1.
Understanding published research results should be through one's own eyes and include the opportunity to work with raw diffraction data to check the various decisions made in the analyses by the original authors. Today, preserving raw diffraction data is technically and organizationally viable at a growing number of data archives, both centralized and distributed, which are empowered to register data sets and obtain a preservation descriptor, typically a 'digital object identifier'. This introduces an important role of preserving raw data, namely understanding where we fail in or could improve our analyses. Individual science area case studies in crystallography are provided.
理解已发表的研究结果应该通过自己的审视，包括有机会处理原始衍射数据，以检查原始作者在分析过程中所做的各种决策。如今，在越来越多的集中式和分布式数据存档机构中，从技术和组织层面保存原始衍射数据都是可行的，这些机构有权登记数据集并获得一个保存描述符，通常是一个“数字对象标识符”。这凸显了保存原始数据的一个重要作用，即了解我们在分析中何处出现失误或可以改进之处。本文提供了晶体学中各个科学领域的案例研究。
