实验材料科学研究数据管理的快速通道——为研究组级材料数字化奠定基础

IF 3.784 3区 化学 Q1 Chemistry ACS Combinatorial Science Pub Date : 2020-06-19 DOI:10.1021/acscombsci.0c00057
Lars Banko, Alfred Ludwig*
{"title":"实验材料科学研究数据管理的快速通道——为研究组级材料数字化奠定基础","authors":"Lars Banko,&nbsp;Alfred Ludwig*","doi":"10.1021/acscombsci.0c00057","DOIUrl":null,"url":null,"abstract":"<p >Research data management is a major necessity for the digital transformation in material science. Material science is multifaceted and experimental data, especially, is highly diverse. We demonstrate an adjustable approach to a group level data management based on a customizable document management software. Our solution is to continuously transform data management workflows from generalized to specialized data management. We start up fast with a relatively unregulated base setting and adapt continuously over the period of use to transform more and more data procedures into specialized data management workflows. By continuous adaptation and integration of analysis workflows and metadata schemes, the amount and the quality of the data improves. As an example of this process, in a period of 36 months, data on over 1800 samples, mainly materials libraries with hundreds of individual samples, were collected. The research data management system now contains over 1700 deposition processes and more than 4000 characterization documents. From initially mainly user-defined data input, an increased number of specialized data processing workflows was developed allowing the collection of more specialized, quality-assured data sets.</p>","PeriodicalId":14,"journal":{"name":"ACS Combinatorial Science","volume":null,"pages":null},"PeriodicalIF":3.7840,"publicationDate":"2020-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1021/acscombsci.0c00057","citationCount":"7","resultStr":"{\"title\":\"Fast-Track to Research Data Management in Experimental Material Science–Setting the Ground for Research Group Level Materials Digitalization\",\"authors\":\"Lars Banko,&nbsp;Alfred Ludwig*\",\"doi\":\"10.1021/acscombsci.0c00057\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Research data management is a major necessity for the digital transformation in material science. Material science is multifaceted and experimental data, especially, is highly diverse. We demonstrate an adjustable approach to a group level data management based on a customizable document management software. Our solution is to continuously transform data management workflows from generalized to specialized data management. We start up fast with a relatively unregulated base setting and adapt continuously over the period of use to transform more and more data procedures into specialized data management workflows. By continuous adaptation and integration of analysis workflows and metadata schemes, the amount and the quality of the data improves. As an example of this process, in a period of 36 months, data on over 1800 samples, mainly materials libraries with hundreds of individual samples, were collected. The research data management system now contains over 1700 deposition processes and more than 4000 characterization documents. From initially mainly user-defined data input, an increased number of specialized data processing workflows was developed allowing the collection of more specialized, quality-assured data sets.</p>\",\"PeriodicalId\":14,\"journal\":{\"name\":\"ACS Combinatorial Science\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.7840,\"publicationDate\":\"2020-06-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1021/acscombsci.0c00057\",\"citationCount\":\"7\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Combinatorial Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acscombsci.0c00057\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Combinatorial Science","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acscombsci.0c00057","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Chemistry","Score":null,"Total":0}
引用次数: 7

摘要

研究数据管理是材料科学数字化转型的重要组成部分。材料科学是多方面的,尤其是实验数据是高度多样化的。我们演示了一种基于可定制文档管理软件的组级数据管理的可调整方法。我们的解决方案是不断地将数据管理工作流从通用数据管理转换为专用数据管理。我们以相对不规范的基础设置快速启动,并在使用期间不断调整,将越来越多的数据过程转换为专门的数据管理工作流。通过对分析工作流程和元数据方案的不断适应和集成,数据的数量和质量得到了提高。作为这一过程的一个例子,在36个月的时间里,收集了1800多个样本的数据,主要是具有数百个单独样本的资料库。研究数据管理系统现在包含1700多个沉积过程和4000多个表征文件。从最初主要是用户定义的数据输入,开发了越来越多的专门数据处理工作流,允许收集更专业、更有质量保证的数据集。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Fast-Track to Research Data Management in Experimental Material Science–Setting the Ground for Research Group Level Materials Digitalization

Research data management is a major necessity for the digital transformation in material science. Material science is multifaceted and experimental data, especially, is highly diverse. We demonstrate an adjustable approach to a group level data management based on a customizable document management software. Our solution is to continuously transform data management workflows from generalized to specialized data management. We start up fast with a relatively unregulated base setting and adapt continuously over the period of use to transform more and more data procedures into specialized data management workflows. By continuous adaptation and integration of analysis workflows and metadata schemes, the amount and the quality of the data improves. As an example of this process, in a period of 36 months, data on over 1800 samples, mainly materials libraries with hundreds of individual samples, were collected. The research data management system now contains over 1700 deposition processes and more than 4000 characterization documents. From initially mainly user-defined data input, an increased number of specialized data processing workflows was developed allowing the collection of more specialized, quality-assured data sets.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
ACS Combinatorial Science
ACS Combinatorial Science CHEMISTRY, APPLIED-CHEMISTRY, MEDICINAL
自引率
0.00%
发文量
0
审稿时长
1 months
期刊介绍: The Journal of Combinatorial Chemistry has been relaunched as ACS Combinatorial Science under the leadership of new Editor-in-Chief M.G. Finn of The Scripps Research Institute. The journal features an expanded scope and will build upon the legacy of the Journal of Combinatorial Chemistry, a highly cited leader in the field.
期刊最新文献
Issue Publication Information Issue Editorial Masthead ACS Combinatorial Science: January, 1999–December, 2020 Aldol Reactions of Biorenewable Triacetic Acid Lactone Precursor Evaluated Using Desorption Electrospray Ionization Mass Spectrometry High-Throughput Experimentation and Validated by Continuous Flow Synthesis Fe3O4@[email protected]: A Magnetic Metal–Organic Framework as a Recoverable Catalyst for the Hydration of Nitriles and Reduction of Isothiocyanates, Isocyanates, and Isocyanides
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1