msIQuant - Quantitation Software for Mass Spectrometry Imaging Enabling Fast Access, Visualization, and Analysis of Large Data Sets
msIQuant - Quantitation Software for Mass Spectrometry Imaging Enabling Fast Access, Visualization, and Analysis of Large Data Sets
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DOI：
10.1021/acs.analchem.5b04603
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发表时间：
2016-04-19
影响因子：
7.4
通讯作者：
Andren, Per E.
中科院分区：
文献类型：
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作者：
Kallback, Patrik;Nilsson, Anna;Andren, Per E.
本文介绍了msIQuant，一种新型的独立于仪器和制造商的定量质谱成像软件套件，它使用标准化的开放访问数据格式imzML。它的数据处理结构使快速图像显示和分析非常大的数据集（> 50gb），而不需要任何数据缩减。此外，msIQuant还提供了许多图像可视化工具，包括多种插值方法、低强度透明显示和图像融合。它还具有定量功能，可自动从一系列标准中生成校准标准曲线，可用于确定特定分析物的浓度。组织切片中的感兴趣区域可以基于许多数量进行分析，包括像素数、平均强度、强度的标准偏差以及中位数和四分位数强度。此外，该套件的导出功能可以简化数据的后处理和报告的创建。我们通过几个应用展示了它的潜力，包括小分子的定量，如药物和神经递质。msIQuant套件是一个强大的工具，用于访问和评估非常大的数据集，定量药物和内源性化合物在感兴趣的组织区域，并处理质谱和图像。
This paper presents msIQuant, a novel instrument- and manufacturer-independent quantitative mass spectrometry imaging software suite that uses the standardized open access data format imzML. Its data processing structure enables rapid image display and the analysis of very large data sets (>50 GB) without any data reduction. In addition, msIQuant provides many tools for image visualization including multiple interpolation methods, low intensity transparency display, and image fusion. It also has a quantitation function that automatically generates calibration standard curves from series of standards that can be used to determine the concentrations of specific analytes. Regions-of-interest in a tissue section can be analyzed based on a number of quantities including the number of pixels, average intensity, standard deviation of intensity, and median and quartile intensities. Moreover, the suite's export functions enable simplified postprocessing of data and report creation. We demonstrate its potential through several applications including the quantitation of small molecules such as drugs and neurotransmitters. The msIQuant suite is a powerful tool for accessing and evaluating very large data sets, quantifying drugs and endogenous compounds in tissue areas of interest, and for processing mass spectra and images.