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NMRFx处理器:一款跨平台的核磁共振数据处理程序。

NMRFx Processor: a cross-platform NMR data processing program.

作者信息

Norris Michael, Fetler Bayard, Marchant Jan, Johnson Bruce A

机构信息

One Moon Scientific, Inc., 839 Grant Ave., Westfield, NJ, 07090, USA.

Howard Hughes Medical Institute, University of Maryland Baltimore County, 1000 Hilltop Circle, Baltimore, MD, 21250, USA.

出版信息

J Biomol NMR. 2016 Aug;65(3-4):205-216. doi: 10.1007/s10858-016-0049-6. Epub 2016 Jul 25.

Abstract

NMRFx Processor is a new program for the processing of NMR data. Written in the Java programming language, NMRFx Processor is a cross-platform application and runs on Linux, Mac OS X and Windows operating systems. The application can be run in both a graphical user interface (GUI) mode and from the command line. Processing scripts are written in the Python programming language and executed so that the low-level Java commands are automatically run in parallel on computers with multiple cores or CPUs. Processing scripts can be generated automatically from the parameters of NMR experiments or interactively constructed in the GUI. A wide variety of processing operations are provided, including methods for processing of non-uniformly sampled datasets using iterative soft thresholding. The interactive GUI also enables the use of the program as an educational tool for teaching basic and advanced techniques in NMR data analysis.

摘要

NMRFx Processor是一款用于处理核磁共振(NMR)数据的新程序。NMRFx Processor采用Java编程语言编写,是一款跨平台应用程序,可在Linux、Mac OS X和Windows操作系统上运行。该应用程序既可以在图形用户界面(GUI)模式下运行,也可以从命令行运行。处理脚本采用Python编程语言编写并执行,以便低级Java命令在具有多个核心或CPU的计算机上自动并行运行。处理脚本可以根据NMR实验的参数自动生成,也可以在GUI中交互式构建。它提供了各种各样的处理操作,包括使用迭代软阈值处理非均匀采样数据集的方法。交互式GUI还使该程序能够用作教学工具,用于教授NMR数据分析中的基础和高级技术。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d81b/4983292/20c951a52f58/10858_2016_49_Fig1_HTML.jpg

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