多变量曲线分辨率与端子提取方法在超光谱拉曼成像中的比较
Robert W Schmidt1, Freek Ariese1, Nematollah Omidikia2
1LaserLaB Amsterdam, Department of Physics and Astronomy, Vrije Universiteit Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam, the Netherlands.
概括
多变量曲线分辨率 (MCR) 和端子提取 (EX) 进行了比较,用于高光谱拉曼成像. MCR成功地从复杂样本中提取纯光谱,即使没有纯像素,与EX不同.
科学领域:
- 分析化学 分析化学
- 频谱学是一种光谱学.
- 材料科学 材料科学 材料科学
背景情况:
- 超光谱成像 (HSI) 生成大型数据集,需要进行化学信息提取的前后处理.
- 端子提取 (EX) 和多变量曲线分辨率 (MCR) 是从HSI数据中导出纯光谱特征和丰度图的常用技术.
研究的目的:
- 在拉曼映射中系统地比较纯变量提取的EX和MCR方法.
- 为选择合适的纯变量提取技术提供准则.
主要方法:
- 数字模拟和实验拉曼映射在药品粉末和分层塑料上.
- 将多变量曲线分辨率 (MCR) 和顶点组件分析 (VCA) 作为代表性的EX算法进行比较.
主要成果:
- 当数据集包含每个组件的纯像素时,MCR和EX (VCA) 性能都很好.
- 在数据集中缺少纯像素时,MCR在提取纯成分光谱方面表现出卓越的能力.
结论:
- 纯像素的存在或不存在显著影响EX和MCR算法的性能.
- 在超光谱拉曼成像中,MCR是用于纯光谱签名和丰度地图检索的推方法,特别是在处理缺乏纯像素的复杂样品时.
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