SPINS: A laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations
SPINS: A laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations
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DOI：
10.1002/prot.20840
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发表时间：
2006-03-01
影响因子：
2.9
通讯作者：
Montelione, GT
中科院分区：
文献类型：
--
作者：
Baran, MC;Moseley, HNB;Montelione, GT
最近的技术进步和实验技术促进了核磁共振数据集的数量和规模的增加。为了提高生产力，需要设计和实施处理这些广泛数据的实验室信息管理系统。SPINS（标准化蛋白质核磁共振存储）实验室信息管理系统（LIMS）通过提供完整蛋白质核磁共振结构测定的存档接口，以及将这些数据存入公共BioMagResBank （BMRB）的功能，解决了这些需求。该软件在NRM结构确定过程的每个步骤中跟踪中间文件，包括：数据收集、数据处理、共振分配、共振分配验证、结构计算和结构验证。底层SPINS数据字典允许集成各种第三方NMR数据处理和分析软件，使用户能够直接从SPINS用户界面启动他们习惯于使用的程序，用于结构确定过程的每个步骤。
Recent technological advances and experimental techniques have contributed to an increasing number and size of NMR datasets. In order to scale up productivity, laboratory information management systems for handling these extensive data need to be designed and implemented. The SPINS (Standardized Protein Nmr Storage) Laboratory Information Management System (LIMS) addresses these needs by providing an interface for archival of complete protein NMR structure determinations, together with functionality for depositing these data to the public BioMagResBank (BMRB). The software tracks intermediate files during each step of an NRM structure-determination process, including: data collection, data processing, resonance assignments, resonance assignment validation, structure calculation, and structure validation. The underlying SPINS data dictionary allows for the integration of various third party NMR data processing and analysis software, enabling users to launch programs they are accustomed to using for each step of the structure determination process directly out of the SPINS user interface.