Synthetic dataset from the manuscript "Deep learning recognition and analysis of Volatile Organic Compounds based on experimental and synthetic infrared absorption spectra"
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Synthetic dataset of IR absorption spectra of volatile organic compounds (VOCs) generated by the conditional variational autoencoder described in the manuscript 'Deep learning recognition and analysis of Volatile Organic Compounds based on experimental and synthetic infrared absorption spectra'. -------------------------------------------------------------------------------------------------------- Each folder contains multiple .npy files each containing 10 generated spectra associated to a fixed concentration in parts per milions [ppm]. The concentration is reported in the file name:{class_name}_PPM{concentration in ppm}.npy The concentrations span the range of values of the experimental dataset, generated with a step of 1 ppm. The dimension of each file is (10, 622), where 10 represents the different spectra and 622 is the number of channels corresponding to the range 700 - 1300 cm^{-1}. Directory tree structure: - Air- Acetone, 82 concentrations from 5 to 86 ppm- Benzene, 66 concentrations from 18 to 83 ppm- Ethanol, 40 concentrations from 9 to 48 ppm- Isopropanol, 92 concentrations from 1 to 92 ppm- m-Xylene, 63 concentrations from 15 to 77 ppm- o-Xylene, 49 concentrations from 33 to 81 ppm- p-Xylene, 20 concentrations from 40 to 59 ppm- Styrene, 81 concentrations from 1 to 81 ppm- Toluene, 58 concentrations from 26 to 83 ppm
本数据集为依据论文《基于实验与合成红外吸收光谱的挥发性有机化合物深度学习识别与分析》中所述条件变分自编码器（Conditional Variational Autoencoder）生成的挥发性有机化合物（Volatile Organic Compounds，VOCs）红外吸收光谱合成数据集。 每个文件夹均包含多个.npy文件，每个文件存储10条与固定百万分比浓度（parts per million，ppm）对应的生成光谱。文件名内嵌浓度信息，命名格式为：{类别名称}_PPM{浓度值（ppm）}.npy。 该数据集的浓度取值范围覆盖对应实验数据集的全部取值区间，采样步长为1 ppm。 单个文件的数据维度为(10, 622)，其中10代表生成的不同光谱条数，622为对应700~1300 cm⁻¹波数范围的通道数量。 数据集目录树结构如下： - 空气背景丙酮（Air-Acetone）：共82个浓度点，浓度范围为5~86 ppm - 苯（Benzene）：共66个浓度点，浓度范围为18~83 ppm - 乙醇（Ethanol）：共40个浓度点，浓度范围为9~48 ppm - 异丙醇（Isopropanol）：共92个浓度点，浓度范围为1~92 ppm - 间二甲苯（m-Xylene）：共63个浓度点，浓度范围为15~77 ppm - 邻二甲苯（o-Xylene）：共49个浓度点，浓度范围为33~81 ppm - 对二甲苯（p-Xylene）：共20个浓度点，浓度范围为40~59 ppm - 苯乙烯（Styrene）：共81个浓度点，浓度范围为1~81 ppm - 甲苯（Toluene）：共58个浓度点，浓度范围为26~83 ppm
