Goranov Aleksandar I, Sleighter Rachel L, Yordanov Dobromir A, Hatcher Patrick G
Department of Chemistry and Biochemistry, Old Dominion University, 4501 Elkhorn Avenue, Norfolk, VA 23529, USA.
FBSciences, Inc. R&D Laboratory, 349 Southport Circle, Suite 102, Virginia Beach, VA 23452, USA.
Anal Methods. 2023 Oct 19;15(40):5390-5400. doi: 10.1039/d3ay00750b.
With the advancements in science and technology, datasets become larger and more multivariate, which warrants the need for programming tools for fast data processing and multivariate statistical analysis. Here, the MATLAB-based Toolbox for Environmental Research "TEnvR" (pronounced "ten-ver") is introduced. This novel toolbox includes 44 open-source codes for automated data analysis from a multitude of techniques, such as ultraviolet-visible, fluorescence, and nuclear magnetic resonance spectroscopies, as well as from ultrahigh resolution mass spectrometry. Provided are codes for processing data (, spectral corrections, formula assignment), visualization of figures, calculation of metrics, multivariate statistics, and automated work-up of large datasets. TEnvR allows for efficient data analysis with minimal "by-hand" manual work by the user, which allows scientists to do research more efficiently. This manuscript is supplemented with a detailed tutorial, example data, and screenshots, which collectively provide instructions on how to use all codes. TEnvR is novice-friendly and experience in programming with MATLAB is not required. TEnvR fulfills the need for a concise MATLAB-based toolbox for working with environmental data and will be updated annually to keep pace with the latest advances and needs for computational work in the environmental sciences.
随着科学技术的进步，数据集变得越来越大且多变量，这就需要用于快速数据处理和多变量统计分析的编程工具。在此，介绍基于MATLAB的环境研究工具箱“TEnvR”（发音为“ten-ver”）。这个新颖的工具箱包含44个开源代码，用于多种技术的自动数据分析，如紫外可见光谱、荧光光谱、核磁共振光谱以及超高分辨率质谱。提供了数据处理（如光谱校正、公式赋值）、图形可视化、指标计算、多变量统计以及大型数据集自动整理的代码。TEnvR允许用户以最少的“手工”操作进行高效数据分析，使科学家能够更高效地开展研究。本文补充了详细的教程、示例数据和屏幕截图，共同提供了如何使用所有代码的说明。TEnvR对新手友好，不需要有MATLAB编程经验。TEnvR满足了对基于MATLAB的简洁工具箱来处理环境数据的需求，并将每年更新以跟上环境科学计算工作的最新进展和需求。
