Data files for: Critical assessment of covered chemical space with LC-HRMS non-targeted analysis

This upload contains the data for the review: "Critical assessment of covered chemical space with LC-HRMS non-targeted analysis". All the files needed to run the code uploaded to GitHub (https://github.com/tobihul/CEC_review_code) can be found here. Included is: All 2277 strutures found in the studied papers with their CID, InChIKey, and SMILES and whether they can be found in MassBank All the experimental parameters retrieved for each study in each category along with the general scope of each study The file with the CID, MW, XLogP3 and experimental parameters for each of the 57 papers 3 CSVfiles containing all the information needed to extract the classes of each strucure using the Julia code (Part A, B and C) The CSV with all of the structures used to plot the chemical space of NORMAN SusDat (their CIDs)本上传数据集对应综述《基于液相色谱-高分辨质谱（LC-HRMS）非靶向分析的覆盖化学空间批判性评估》（"Critical assessment of covered chemical space with LC-HRMS non-targeted analysis"）的相关研究数据。所有上传至GitHub（https://github.com/tobihul/CEC_review_code）的代码运行所需文件均可在此处获取。本次包含的内容如下：纳入本研究文献的2277种化合物结构，及其化合物识别号（CID）、InChIKey、简化分子线性输入规范（SMILES），以及是否可在MassBank数据库中检索到；各分类研究中提取的全部实验参数，以及每项研究的整体研究范围；涵盖57篇文献中各对应化合物的CID、分子量（MW）、XLogP3参数及实验参数的数据集文件；3个逗号分隔值（CSV）文件，包含使用Julia语言代码（分为A、B、C三个部分）提取每种化合物结构类别所需的全部信息；用于绘制NORMAN SusDat数据库化学空间分布图的所有化合物结构对应的CID的CSV文件。