data for article "Theory informed, experiment based, constraint on the rate of autoxidation chemistry – An analytical approach"

The files contain the data from simulations shown in plots for main manuscript figures and SI figures. Further, a preliminary autoCONSTRAINT verion to reproduce the results shown is attached and the PyCHAM model used to create CIMS-like inputs to autoCONSTRAINT referenced (model inputs are attached). For any questions on the data contact: [e-mail]

Detailed information on the file content is provided in file "SI_data_description"

本数据集文件包含用于制作主稿件配图及补充材料（Supplementary Information，简称SI）配图的模拟实验数据。此外，附带了可复现本文所述结果的预发布版autoCONSTRAINT工具；用于为autoCONSTRAINT生成类化学电离质谱（Chemical Ionization Mass Spectrometry，简称CIMS）输入数据的PyCHAM模型已在文中引用，其配套模型输入文件亦已附带。若对本数据集存有任何疑问，请联系：[e-mail]。关于本数据集文件的详细内容说明，请参阅文件"SI_data_description"。