Iolite: Freeware for the visualisation and processing of mass spectrometric data
Iolite: Freeware for the visualisation and processing of mass spectrometric data
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DOI：
10.1039/c1ja10172b
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发表时间：
2011-01-01
影响因子：
3.4
通讯作者：
Hergt, Janet
中科院分区：
文献类型：
--
作者：
Paton, Chad;Hellstrom, John;Hergt, Janet
Iolite 是一款非商业软件包，旨在帮助处理无机质谱数据，重点强调可视化与采集时间的关系。该软件的目标是提供一个强大的数据处理和解释框架，同时使用户能够实现自己的数据缩减协议。它旨在实现高度交互，为用户提供处理所有阶段数据的完整概述，并允许在任何时候自由更改参数和重新处理数据。该程序提供了各种用于选择和查看数据随时间变化的窗口，以及用于生成 X-Y 图、摘要报告和数据导出的功能。此外，它还能够从激光烧蚀光栅生成 X-Y 图像，并将来自最多四种不同元素浓度（红色、绿色和蓝色的强度以及 z 轴）的信息组合到假彩色三维图像中。凭借其底层计算环境，Igor Pro-Iolite 能够快速处理非常大的数据集（即数百万个时间片），因此非常适合询问激光烧蚀数据的多小时会话，例如在传统电子表格应用程序中无法轻松操纵的激光烧蚀数据。它还非常适合解决方案模式电感耦合等离子体质谱仪 (ICPMS) 或热电离质谱仪 (TIMS) 数据的多天会话。重点是通过各种用户可选择的方法（包括平滑三次样条）对随时间变化的参数进行插值。数据按时间片进行处理，允许直接在计算结果上采用异常值拒绝和统计计算。这种方法可以降低与集成数据集操作相关的处理偏差的风险，同时还允许实施更复杂的数据缩减方法。
Iolite is a non-commercial software package developed to aid in the processing of inorganic mass spectrometric data, with a strong emphasis on visualisation versus time of acquisition. The goal of the software is to provide a powerful framework for data processing and interpretation, while giving users the ability to implement their own data reduction protocols. It is intended to be highly interactive, providing the user with a complete overview of the data at all stages of processing, and allowing the freedom to change parameters and reprocess data at any point. The program presents a variety of windows for the selection and viewing of data versus time, as well as features for the generation of X-Y plots, summary reports and export of data. In addition, it is capable of generating X-Y images from laser ablation rasters, and combining information from up to four separate elemental concentrations (intensities of red, green and blue, and the z-axis) in a false-colour three-dimensional image. By virtue of its underlying computing environment-Igor Pro-Iolite is capable of processing very large datasets (i.e., millions of timeslices) rapidly, and is thus ideal for the interrogation of multi-hour sessions of laser ablation data that can not be easily manipulated in conventional spreadsheet applications, for example. It is also well suited to multi-day sessions of solution-mode inductively-coupled plasma mass spectrometer (ICPMS) or thermal ionisation mass spectrometer (TIMS) data. A strong emphasis is placed on the interpolation of parameters that vary with time by a variety of user selectable methods including smoothed cubic splines. Data are processed on a timeslice-by-timeslice basis, allowing outlier rejection and calculation of statistics to be employed directly on calculated results. This approach can reduce the risk of processing biases associated with the manipulation of integrated datasets, while also allowing the implementation of more complex data reduction methods.