Department of Environmental Science, University of California, Riverside, 900 University Avenue, Riverside, California 92521, United States.
University of Koblenz-Landau, iES Landau, Institute for Environmental Sciences, Group of Environmental and Soil Chemistry, Fortstraße 7, 76829 Landau, Germany.
Anal Chem. 2021 Jun 1;93(21):7543-7548. doi: 10.1021/acs.analchem.1c00123. Epub 2021 May 19.
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).
微塑料污染研究受到光谱（拉曼和红外）分类数据和工具不足的困扰。光谱匹配工具通常不准确，无法识别微塑料，而且成本过高。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得到体现。在这里，我们提出了一个可行的软件解决方案：Open Specy。Open Specy 可在网络（www.openspecy.org）和 R 包中使用。Open Specy 是免费的，允许用户查看、处理、识别并将其光谱共享到社区库中。用户可以上传和处理他们的光谱，使用平滑（Savitzky-Golay 滤波器）和多项式基线校正技术（IModPolyFit）。处理后的光谱可以下载到其他应用程序中使用，也可以使用板载参考库和基于相关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现的结果。Open Specy 拥有一个不断增长的参考光谱库，该库越来越多地代表了作为污染物套件的微塑料的多样性。我们比较了 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。我们发现，Open Specy 是唯一的开源软件，也是唯一具有社区库的软件，并且与流行软件（OMNIC Picta 和 KnowItAll）具有可比的准确性。随着社区贡献的光谱和社区开发的代码使参考库和功能不断增长，未来的发展将提高光谱识别的准确性。Open Specy 也可用于微塑料分析以外的应用。Open Specy 的源代码是开源的（CC-BY-4.0，仅署名）（https://github.com/wincowgerDEV/OpenSpecy）。
