用Python分析物理化学实验室NMR实验中的大数据集

IF 2.5 3区教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Chemical Education Pub Date : 2023-09-19 DOI:10.1021/acs.jchemed.3c00586

Zefan Zhang, Anshul Gautam, Soon-Mi Lim and Christian Hilty*,

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引用次数: 0

摘要

我们描述了在本科生物理化学实验室中演示低场NMR光谱的实验的更新。为该实验开发了一个基于Python的数据处理和分析协议。Python语言用于笔记本软件JupyterLab中的可填充工作表，为学生逐步处理测量数据提供了一种交互式手段。该协议教授科学或工程中大型数据集的分析方法，这是传统化学课程中没有的主题。Python是用于数据分析的最广泛使用的现代工具之一。此外，它的开源特性减少了在教育实验室采用的障碍。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Analysis of Large Data Sets in a Physical Chemistry Laboratory NMR Experiment Using Python

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Analysis of Large Data Sets in a Physical Chemistry Laboratory NMR Experiment Using Python

We describe an update to an experiment demonstrating low-field NMR spectroscopy in the undergraduate physical chemistry laboratory. A Python-based data processing and analysis protocol is developed for this experiment. The Python language is used in fillable worksheets in the notebook software JupyterLab, providing an interactive means for students to work with the measured data step by step. The protocol teaches methods for the analysis of large data sets in science or engineering, a topic that is absent from traditional chemistry curricula. Python is among the most widely used modern tools for data analysis. In addition, its open-source nature reduces the barriers for adoption in an educational laboratory.

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来源期刊

Journal of Chemical Education 化学-化学综合

CiteScore

5.60

自引率

50.00%

发文量

465

审稿时长

6.5 months

期刊介绍： The Journal of Chemical Education is the official journal of the Division of Chemical Education of the American Chemical Society, co-published with the American Chemical Society Publications Division. Launched in 1924, the Journal of Chemical Education is the world’s premier chemical education journal. The Journal publishes peer-reviewed articles and related information as a resource to those in the field of chemical education and to those institutions that serve them. JCE typically addresses chemical content, activities, laboratory experiments, instructional methods, and pedagogies. The Journal serves as a means of communication among people across the world who are interested in the teaching and learning of chemistry. This includes instructors of chemistry from middle school through graduate school, professional staff who support these teaching activities, as well as some scientists in commerce, industry, and government.