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原始数据存档的演变及其在晶体学中的重要性增长

John R Helliwell¹, James R Hester², Loes M J Kroon-Batenburg³

¹Department of Chemistry, University of Manchester, Manchester M13 9PL, United Kingdom.

|June 12, 2024

概括

国际晶体学联盟 (IUCr) 正在促进原始数据的存档,以确保科学研究中的可重复性. 该倡议支持对晶体学和衍射数据的再利用,提高研究完整性.

科学领域:

晶体学和衍射科学晶体学和衍射科学
数据存档和可复制性数据的存档和可复制性.
科学出版科研出版

背景情况:

数字存储容量大幅扩大,使大规模的数据存档成为可能.
国际晶体学联盟 (IUCr) 成立了一个工作组,评估原始数据存档的优缺点.
在已发表的科学研究中,对基本真相可复制性的需求被确定为一个关键的好处.

研究的目的:

详细介绍国际晶体学联盟 (IUCr) 的倡议,以促进讨论和计划原始数据的存档和重用.
突出数据委员会的建立及其在IUCr数据存档工作中的作用.
记录在晶体学,衍射和散射社区内原始数据存档实施的进展.

主要方法:

召集官方工作组和IUCr委员会之间的商.
资助研讨会,以促进社区对原始数据存档实施的对话.
启动IUCrData期刊的原始数据信件,以发布未解释的衍射模式.

主要成果:

成功建立数据委员会,以指导存档策略.
通过IUCr资助的研讨会增加社区参与.
推出IUCrData的原始数据信件标志着在存档原始,未经解释的数据方面迈出的重要一步.

结论:

在促进原始数据的存档和重用方面,IUCr取得了实质性的进展.
持续的社区讨论和实施对于这些倡议的成功至关重要.
存档原始数据对于提高晶体学和相关领域科学研究的可复制性和完整性至关重要.

关键词:

基本的真理基本的真理原始数据存档硬件硬件原始数据测量硬件的原始数据测量硬件.在光子和中子设施的原始数据政策.原始数据处理软件原始数据处理软件

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