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

机译：MSiReader v1.0：用于目标分析和非目标分析的不断发展的开源质谱成像软件

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摘要

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.
机译：介绍了质谱成像（MSI）软件MSiReader的主要更新，该更新提供了许多对MSI分析至关重要的新添加的功能。 MSiReader是在MATLAB平台中编写的免费，开放源代码且与供应商无关的软件，并且能够分析最常见的MSI数据格式。还分发了不需要MATLAB许可证的独立版本的软件。新合并的数据分析功能将MSiReader的实用性扩展到了简单的分子分布可视化之外。利用MSiQuantification工具，研究人员可以仅通过MSiReader软件从定量MSI实验中计算绝对浓度，从而大大减少了数据分析时间。图像叠加功能允许将互补的成像模态与MSI数据一起显示。极性过滤器也已合并到数据加载步骤中，从而可以轻松进行极性切换实验分析，而无需在将数据文件加载到MSiReader之前进行数据解析。还添加了质量保证功能，可以为感兴趣的分析物生成质量测量精度（MMA）热图，从而可以在整个成像实验中对MMA进行调查。最重要的是，由于增加了新功能，因此性能并未降低，实际上已经得到了极大的改善。这些新工具以及MSiReader v1.0中性能的改进使MSI社区能够更深入，更短地评估其数据。

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