Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data
Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data
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允许创建支持信息的期刊文章以及可查找、可访问、可互操作和可重复使用 (FAIR) 的光谱数据发布的工作流程
DOI：
10.1021/acsomega.8b03005
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发表时间：
2019
期刊：
影响因子：
4.1
通讯作者：
Felipe Seoane
中科院分区：
文献类型：
--
作者：
Agustín Barba;Santiago Domínguez;C. Cobas;D. Martinsen;C. Romain;H. Rzepa;Felipe Seoane
学术机构、资助机构和出版商，如果不是研究人员本身，也越来越重视研究数据的保存和共享。分享的动机包括研究的完整性、可复制性和可重用性。发布数据的障碍之一是，一旦一篇期刊文章及其辅助信息完成，就需要额外的工作来准备要发布的数据。在这项工作中，描述了一种方法，直接从主要仪器数据文件生成人和机器可读的支持信息，并生成元数据，以确保其按照可查找、可访问、可互操作和可重复使用(公平)的指导方针发布。使用这种方法，人类可读的支持信息和主要(原始)数据都可以同时提交，几乎不需要额外的努力。虽然传统上，数据包将被发送到期刊出版商与文章一起发表，但数据包也可以在机构公平的数据储存库中独立发布。描述了存储数据包并生成适合于这种储存库的元数据的工作流。对于核磁共振数据，已经实现了生成和发布数据包的方法，但这个概念也可以扩展到其他类型的光谱数据。
There is an increasing focus on the part of academic institutions, funding agencies, and publishers, if not researchers themselves, on preservation and sharing of research data. Motivations for sharing include research integrity, replicability, and reuse. One of the barriers to publishing data is the extra work involved in preparing data for publication once a journal article and its supporting information have been completed. In this work, a method is described to generate both human and machine-readable supporting information directly from the primary instrumental data files and to generate the metadata to ensure it is published in accordance with findable, accessible, interoperable, and reusable (FAIR) guidelines. Using this approach, both the human readable supporting information and the primary (raw) data can be submitted simultaneously with little extra effort. Although traditionally the data package would be sent to a journal publisher for publication alongside the article, the data package could also be published independently in an institutional FAIR data repository. Workflows are described that store the data packages and generate metadata appropriate for such a repository. The methods both to generate and to publish the data packages have been implemented for NMR data, but the concept is extensible to other types of spectroscopic data as well.