Microplastic Spectral Classification Needs an Open Source Community: Open Specy to the Rescue!
Microplastic Spectral Classification Needs an Open Source Community: Open Specy to the Rescue!
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DOI：
10.1021/acs.analchem.1c00123
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发表时间：
2021-05-19
影响因子：
7.4
通讯作者：
Herodotou, Orestis
中科院分区：
文献类型：
--
作者：
Cowger, Win;Steinmetz, Zacharias;Herodotou, Orestis
微塑料污染研究缺乏足够的数据和光谱（拉曼和红外）分类工具。光谱匹配工具对于微塑料识别通常不准确，并且成本高昂。缺乏准确性源于微塑料污染物的多样性，这些污染物在光谱库中没有表现出来。在这里，我们提出了一个可行的软件解决方案：Open Specy。Open Specy在Web（www.openspecy.org）上，并在R包中。Open Specy是免费的，允许用户查看，处理，识别和共享他们的光谱到社区图书馆。用户可以使用平滑（Savitzky-Golay滤波器）和多项式基线校正技术（IModPolyFit）上传和处理他们的光谱。处理后的光谱可以下载以用于其他应用或使用机载参考库和基于相关性的匹配标准进行识别。Open Specy的数据共享和会话日志功能确保了可重复的结果。Open Specy拥有不断增长的参考光谱库，越来越多地代表微塑料作为污染物套件的多样性。我们将Open Specy用于微塑料识别的功能和准确性与常用的光谱分析软件进行了比较。我们发现Open Specy是唯一一个开源软件，也是唯一一个拥有社区库的软件，并且Open Specy的准确性与流行软件（OMNIC Picta和KnowItAll）相当。未来的发展将提高光谱识别的准确性，因为参考库和功能通过社区贡献的光谱和社区开发的代码增长。Open Specy还可用于微塑性分析以外的应用。Open Specy的源代码是开源的（CC-BY-4.0，仅注明出处）（https：//github.com/wincowgerDEV/OpenSpecy）。
Microplastic pollution research has suffered from inadequate data and tools for spectral (Raman and infrared) classification. Spectral matching tools often are not accurate for microplastics identification and are cost-prohibitive. Lack of accuracy stems from the diversity of microplastic pollutants, which are not represented in spectral libraries. Here, we propose a viable software solution: Open Specy. Open Specy is on the web (www.openspecy.org) and in an R package. Open Specy is free and allows users to view, process, identify, and share their spectra to a community library. Users can upload and process their spectra using smoothing (Savitzky-Golay filter) and polynomial baseline correction techniques (IModPolyFit). The processed spectrum can be downloaded to be used in other applications or identified using an onboard reference library and correlation-based matching criteria. Open Specy's data sharing and session log features ensure reproducible results. Open Specy houses a growing library of reference spectra, which increasingly represents the diversity of microplastics as a contaminant suite. We compared the functionality and accuracy of Open Specy for microplastic identification to commonly used spectral analysis software. We found that Open Specy was the only open source software and the only software with a community library, and Open Specy had comparable accuracy to popular software (OMNIC Picta and KnowItAll). Future developments will enhance spectral identification accuracy as the reference library and functionality grows through community-contributed spectra and community-developed code. Open Specy can also be used for applications beyond microplastic analysis. Open Specy's source code is open source (CC-BY-4.0, attribution only) (https://github.com/wincowgerDEV/OpenSpecy).