EasyCID: Make component identification easy in Raman spectroscopy

被引:8
作者
Wang, Yue [1 ]
Fan, Xiaqiong [1 ]
Tian, Shuai [2 ]
Zhang, Hailiang [1 ]
Sun, Jinyu [1 ]
Lu, Hongmei [1 ,3 ]
Zhang, Zhimin [1 ]
机构
[1] Cent South Univ, Coll Chem & Chem Engn, Changsha, Peoples R China
[2] Chinese Acad Cultural Heritage, Beijing, Peoples R China
[3] Hunan Key Lab Sci Archaeol & Conservat Sci, Changsha, Peoples R China
基金
中国国家自然科学基金;
关键词
Raman spectroscopy; Deep learning; CNN; Component identification; NEURAL-NETWORKS; PARTICLE-SIZE;
D O I
10.1016/j.chemolab.2022.104657
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Raman spectroscopy can provide valuable fingerprints for molecule identification. The high chemical specificity, minimal or no sample preparation, and the ability to use advanced optical technologies in the visible or near -infrared spectral range have increased its applications. However, identifying components of mixtures is still challenging in Raman spectrometry. The performance of traditional identification methods largely depends on the quality of spectral preprocessing and library searching methods, which limits the ease of Raman application. Thus, based on our previous work, we developed a user-friendly software named EasyCID to directly identify the components of mixtures from raw spectra. EasyCID provides an easy-to-use platform for building deep learning models, identifying components in mixtures, and displaying results intuitively. It is implemented in Python and is available at https://github.com/Ryan21wy/EasyCID.
引用
收藏
页数:8
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