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化学最小信息标准:呼吁更好的研究数据管理实践。

Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.

机构信息

Institut für Anorganische Chemie, RWTH Aachen University, Landoltweg 1A, 52074, Aachen, Germany.

E-Research, FIZ Karlsruhe-Leibniz Institute for Information Infrastructure, Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.

出版信息

Angew Chem Int Ed Engl. 2022 Dec 19;61(51):e202203038. doi: 10.1002/anie.202203038. Epub 2022 Nov 8.

Abstract

Research data management (RDM) is needed to assist experimental advances and data collection in the chemical sciences. Many funders require RDM because experiments are often paid for by taxpayers and the resulting data should be deposited sustainably for posterity. However, paper notebooks are still common in laboratories and research data is often stored in proprietary and/or dead-end file formats without experimental context. Data must mature beyond a mere supplement to a research paper. Electronic lab notebooks (ELN) and laboratory information management systems (LIMS) allow researchers to manage data better and they simplify research and publication. Thus, an agreement is needed on minimum information standards for data handling to support structured approaches to data reporting. As digitalization becomes part of curricular teaching, future generations of digital native chemists will embrace RDM and ELN as an organic part of their research.

摘要

研究数据管理(RDM)对于辅助化学科学领域的实验进展和数据收集是必需的。许多资助机构都要求进行 RDM,因为实验往往是由纳税人出资的,而产生的数据应该可持续地保存下来,以便后人使用。然而,纸质笔记本在实验室中仍然很常见,而且研究数据通常存储在没有实验背景的专有和/或死格式文件中。数据必须不仅仅是研究论文的补充。电子实验室笔记本(ELN)和实验室信息管理系统(LIMS)允许研究人员更好地管理数据,简化研究和出版过程。因此,需要就数据处理的最低信息标准达成一致,以支持结构化的数据报告方法。随着数字化成为课程教学的一部分,未来的数字原生化学家一代将把 RDM 和 ELN 视为其研究的有机组成部分。

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