School of Computer Science and Informatics, De Montfort University, Leicester, UK.
Department of Chemistry - BMC, Uppsala Universitet, Uppsala, Sweden.
Magn Reson Chem. 2021 Aug;59(8):792-803. doi: 10.1002/mrc.5146. Epub 2021 Apr 8.
The nuclear magnetic resonance extracted data (NMReDATA) format has been proposed as a way to store, exchange, and disseminate nuclear magnetic resonance (NMR) data and physical and chemical metadata of chemical compounds. In this paper, we report on analytical workflows that take advantage of the uniform and standardized NMReDATA format. We also give access to a repository of sample data, which can serve for validating software packages that encode or decode files in NMReDATA format.
已提出了核磁共振提取数据（NMReDATA）格式，以存储、交换和传播核磁共振（NMR）数据以及化合物的物理和化学元数据。在本文中，我们报告了利用统一和标准化的 NMReDATA 格式的分析工作流程。我们还提供了样本数据存储库的访问权限，这些数据可用于验证以 NMReDATA 格式对文件进行编码或解码的软件包。
