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SARA: a software environment for the analysis of relaxation data acquired with accordion spectroscopy

机译:SARA:一种软件环境,用于分析通过手风琴光谱仪获得的弛豫数据

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摘要

We present SARA (Software for Accordion Relaxation Analysis), an interactive and user-friendly MATLAB software environment designed for analyzing relaxation data obtained with accordion spectroscopy. Accordion spectroscopy can be used to measure nuclear magnetic resonance (NMR) relaxation rates in a fraction of the time required by traditional methods, yet data analysis can be intimidating and no unified software packages are available to assist investigators. Hence, the technique has not achieved widespread use within the NMR community. SARA offers users a selection of analysis protocols spanning those presented in the literature thus far, with modifications permitting a more general application to crowded spectra such as those of proteins. We discuss the advantages and limitations of each fitting method and suggest a protocol combining the strengths of each procedure to achieve optimal results. In the end, SARA provides an environment for facile extraction of relaxation rates and should promote routine application of accordion relaxation spectroscopy.
机译:我们介绍了SARA(手风琴放松分析软件),这是一种交互式且用户友好的MATLAB软件环境,旨在分析通过手风琴光谱法获得的放松数据。手风琴光谱法可用于测量核磁共振(NMR)弛豫率,所需时间仅为传统方法的一小部分,但数据分析却令人生畏,并且没有统一的软件包可协助研究人员。因此,该技术尚未在NMR社区内获得广泛使用。 SARA为用户提供了多种分析方案的选择,涵盖了迄今为止在文献中提出的方案,并进行了修改,使其可以更广泛地应用于拥挤的光谱(例如蛋白质)。我们讨论了每种拟合方法的优点和局限性,并提出了一种协议,该协议结合了每种程序的优势来获得最佳结果。最后,SARA提供了轻松提取弛豫率的环境,并应促进手风琴弛豫谱的常规应用。

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