ABSTRACT Since there is now a growing wish by referees to judge the underpinning data for a submitted article, it is timely to provide a summary of the data evaluation checks required to be done by a referee. As these checks will vary from field to field, this article focuses on the needs of biological X-ray crystallography articles, which is the predominantly used method leading to depositions in the PDB. These checks necessarily include that a referee scrutinizes the PDB validation report for each crystal structure accompanying the article submission. A referee would also undertake one cycle of model refinement of the authors' biological macromolecule coordinates against the authors' processed diffraction data and assess the model and Fo-Fc electron density maps. If the referee deems necessary, the raw diffraction data images should be reprocessed (e.g. to a different diffraction resolution). The organization of practical referee skills training can be via the crystallography associations.

中文翻译：

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裁判的数据科学技能：I 生物 X 射线晶体学

摘要 由于裁判现在越来越希望判断提交文章的基础数据，因此及时提供裁判所需的数据评估检查摘要。由于这些检查因领域而异，本文重点介绍生物 X 射线晶体学文章的需求，这是导致 PDB 沉积的主要使用方法。这些检查必须包括裁判员仔细检查随文章提交的每个晶体结构的 PDB 验证报告。裁判还将根据作者处理的衍射数据对作者的生物大分子坐标进行一次模型细化，并评估模型和 Fo-Fc 电子密度图。如果裁判认为有必要，原始衍射数据图像应重新处理（例如，以不同的衍射分辨率）。可以通过晶体学协会组织实用裁判技能培训。