k.-k.Hofkristallamt, San Diego, CA 92084, USA; Division of Genetic Epidemiology, Medical University Innsbruck, Schöpfstraße 41, Innsbruck, Tyrol 6020, Austria.
Structure. 2018 Jul 3;26(7):919-923. doi: 10.1016/j.str.2018.04.013. Epub 2018 May 31.
The almost universally required "Table 1," summarizing data-collection and data-processing statistics, has in its present form outlived its usefulness in almost all publications of biomolecular crystal structure reports. Information contained in "Table 1" is insufficient to evaluate or repeat the experiment; is redundant with information extractable from deposited diffraction data; and includes data items whose meaning is under increased scrutiny in the crystallographic community. Direct and consistent extraction and analysis of data quality metrics from preferably unmerged intensity data with graphical presentation of reciprocal space features, including impact on map and model features, should replace "Table 1."
几乎所有的出版物都要求有一个总结数据收集和数据处理统计信息的“表 1”,但目前在几乎所有的生物分子晶体结构报告中,这个表格都已经失去了它的作用。“表 1”中包含的信息不足以评估或重复实验;与可从已存储的衍射数据中提取的信息重复;并且包含的一些数据项的含义在晶体学界受到越来越多的关注。直接和一致地从最好是非合并的强度数据中提取和分析数据质量指标,并以图形方式展示倒易空间特征,包括对图谱和模型特征的影响,应该取代“表 1”。