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MSiReader v1.0:一款不断发展的用于靶向和非靶向分析的开源质谱成像软件。

MSiReader v1.0: Evolving Open-Source Mass Spectrometry Imaging Software for Targeted and Untargeted Analyses.

作者信息

Bokhart Mark T, Nazari Milad, Garrard Kenneth P, Muddiman David C

机构信息

Department of Chemistry, W. M. Keck FTMS Laboratory for Human Health Research, Raleigh, NC, USA.

Precision Engineering Consortium, Department of Mechanical and Aerospace Engineering, North Carolina State University, Raleigh, NC, 27695, USA.

出版信息

J Am Soc Mass Spectrom. 2018 Jan;29(1):8-16. doi: 10.1007/s13361-017-1809-6. Epub 2017 Sep 20.

Abstract

A major update to the mass spectrometry imaging (MSI) software MSiReader is presented, offering a multitude of newly added features critical to MSI analyses. MSiReader is a free, open-source, and vendor-neutral software written in the MATLAB platform and is capable of analyzing most common MSI data formats. A standalone version of the software, which does not require a MATLAB license, is also distributed. The newly incorporated data analysis features expand the utility of MSiReader beyond simple visualization of molecular distributions. The MSiQuantification tool allows researchers to calculate absolute concentrations from quantification MSI experiments exclusively through MSiReader software, significantly reducing data analysis time. An image overlay feature allows the incorporation of complementary imaging modalities to be displayed with the MSI data. A polarity filter has also been incorporated into the data loading step, allowing the facile analysis of polarity switching experiments without the need for data parsing prior to loading the data file into MSiReader. A quality assurance feature to generate a mass measurement accuracy (MMA) heatmap for an analyte of interest has also been added to allow for the investigation of MMA across the imaging experiment. Most importantly, as new features have been added performance has not degraded, in fact it has been dramatically improved. These new tools and the improvements to the performance in MSiReader v1.0 enable the MSI community to evaluate their data in greater depth and in less time. Graphical Abstract ᅟ.

摘要

本文介绍了质谱成像(MSI)软件MSiReader的一次重大更新,该更新提供了众多对MSI分析至关重要的新功能。MSiReader是一款基于MATLAB平台编写的免费、开源且与供应商无关的软件,能够分析大多数常见的MSI数据格式。该软件还发布了一个独立版本,无需MATLAB许可证。新纳入的数据分析功能将MSiReader的用途扩展到了分子分布的简单可视化之外。MSiQuantification工具使研究人员能够仅通过MSiReader软件从定量MSI实验中计算绝对浓度,显著减少了数据分析时间。图像叠加功能允许将互补成像模态与MSI数据一起显示。数据加载步骤中还加入了极性过滤器,无需在将数据文件加载到MSiReader之前进行数据解析,就能轻松分析极性转换实验。还添加了一个质量保证功能,可为感兴趣的分析物生成质量测量准确度(MMA)热图,以便在整个成像实验中研究MMA。最重要的是,随着新功能的添加,性能并未下降,实际上还得到了显著提升。MSiReader v1.0中的这些新工具和性能改进使MSI社区能够在更短的时间内更深入地评估其数据。图形摘要ᅟ。

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