CONNJUR Workflow Builder: a software integration environment for spectral reconstruction.
CONNJUR Workflow Builder: a software integration environment for spectral reconstruction.
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DOI：
10.1007/s10858-015-9946-3
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发表时间：
2015-07
影响因子：
2.7
通讯作者：
Gryk MR
中科院分区：
文献类型：
--
作者：
Fenwick M;Weatherby G;Vyas J;Sesanker C;Martyn TO;Ellis HJ;Gryk MR
WB是一个开源软件集成环境，利用现有的光谱重建工具创建一个协同一致的平台，用于将生物分子NMR数据从时域转换到频域。WB使用关系数据库提供主要数据和元数据的数据集成，并包括用于处理时域数据的预构建工作流库。WB简化了最大熵重建，便于处理非均匀采样的时域数据。如将在文件中所示，WB的独特功能提供了新的能力，以提高质量，精度和保真度的光谱重建过程。WB还提供了促进协作、教育、参数化和非统一数据集的功能，沿着与罗兰NMR工具包（RNMRTK）和NMRPipe软件包集成的处理。WB是永久免费的，在MIT和GPL开源许可证下双重许可。
CONNJUR Workflow Builder (WB) is an open-source software integration environment that leverages existing spectral reconstruction tools to create a synergistic, coherent platform for converting biomolecular NMR data from the time domain to the frequency domain. WB provides data integration of primary data and metadata using a relational database, and includes a library of pre-built workflows for processing time domain data. WB simplifies maximum entropy reconstruction, facilitating the processing of non-uniformly sampled time domain data. As will be shown in the paper, the unique features of WB provide it with novel abilities to enhance the quality, accuracy, and fidelity of the spectral reconstruction process. WB also provides features which promote collaboration, education, parameterization, and non-uniform data sets along with processing integrated with the Rowland NMR Toolkit (RNMRTK) and NMRPipe software packages. WB is available free of charge in perpetuity, dual-licensed under the MIT and GPL open source licenses.