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The development and use of a crystallographic database

机译:晶体学数据库的开发和使用

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摘要

Crystallographers constitute a privileged group of scientists, not only because they provide an understanding of nature to an extent and at a resolution that is truly unique, but also because their results are archived in a manner that is unrivaled among physical methods used for characterization of molecular properties. This archive, the Cambridge Structural Database (CSD), developed and maintained by the Cambridge Crystallographic Data Center (CCDC), presently holds more than 800 000 entries for organic and organometallic compounds. Other databases include the Protein Data Bank (PDB; Berman et al., 2000) and the Inorganic Crystal Structure Database (ICSD; Belsky et al., 2002). The value of this resource is documented by the fact that the currently used reference to the CSD (Allen, 2002) has received more than 10 000 citations related to all fields of crystallography (Wong et al., 2010). The paper by Groom et al. (2016) supersedes Allen's article and will become the new standard reference to the CSD.
机译:晶体学专家构成了一个特权小组,不仅因为他们在一定程度上和以真正独特的分辨率提供了对自然的了解,而且因为他们的结果以一种在表征分子的物理方法中无与伦比的方式进行了归档属性。该档案由剑桥晶体数据中心(CCDC)开发和维护,剑桥结构数据库(CSD),目前保存着超过80万个有机和有机金属化合物条目。其他数据库包括蛋白质数据库(PDB; Berman等,2000)和无机晶体结构数据库(ICSD; Belsky等,2002)。该资源的价值体现在以下事实上:当前使用的CSD参考文献(Allen,2002年)已收到与晶体学所有领域有关的10000多次引用(Wong等,2010)。 Groom等人的论文。 (2016)取代了Allen的文章,并将成为CSD的新标准参考。

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