光谱学
散射
化学
预处理器
乘法函数
红外光谱学
光学
红外线的
计算物理学
傅里叶变换
谱线
物理
计算机科学
数学
人工智能
数学分析
有机化学
量子力学
天文
作者
Paulina Kozioł,Karolina Kosowska,P. Korecki,Tomasz P. Wróbel
标识
DOI:10.1016/j.aca.2023.341722
摘要
Scattering artifacts are one of the most common effects distorting transmission spectra in Fourier-Transform Infrared spectroscopy. Their increased impact, strongly diminishing the quantitative and qualitative power of IR spectroscopy, is especially observed for structures with a size comparable to the radiation wavelength. To tackle this problem, a wide range of preprocessing techniques based on the Extended Multiplicative Scattering Correction method was developed, using physical properties to remove scattering presence in the spectra. However, until recently those algorithms were mostly focused on spherically shaped samples, for example, cells. Here, an algorithm for samples with cylindrical domains is described, with additional implementation of a linearly polarized light case, which is crucial for the growing field of polarized IR imaging and spectroscopy. An open-source code with GPU based implementation is provided, with a calculation time of several seconds per spectrum. Optimizations done to improve the throughput of this algorithm allow the application of this method into the standard preprocessing pipeline of small datasets.
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