Efficient, robust, and scale-invariant decomposition of Raman spectra

S. Bayraktar, B. Labitzke, J. Bader, R. Bornemann, P. Bolívar, A. Kolb
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引用次数: 4

Abstract

Raman spectroscopy is used to identify unknown constituent minerals and their abundances since Raman spectra convey characteristic information about the sample's chemical structure. We present a novel method to identify constituting pure minerals in a mixture by comparing the measured Raman spectra with a reference database. Our method comprises of two major components: A novel scale-invariant spectral matching technique, that allows to compare measured spectra with the reference spectra from the database even when the band intensities are not directly comparable and an iterative unmixing scheme to decompose a measured spectrum into its constituent minerals and compute their abundances.
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高效、稳健、尺度不变的拉曼光谱分解
拉曼光谱用于鉴定未知成分矿物及其丰度,因为拉曼光谱传达了样品化学结构的特征信息。我们提出了一种新的方法,通过比较测量的拉曼光谱与参考数据库来识别混合物中构成纯矿物。我们的方法包括两个主要部分:一种新颖的尺度不变光谱匹配技术,即使波段强度不能直接比较,也可以将测量光谱与数据库中的参考光谱进行比较;一种迭代解混方案,将测量光谱分解为其组成矿物并计算其丰度。
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