Data and Scripts for the Article: Structural Sensitivity of N1s Excitations in N-methylacetamide Solutions

Data and scripts for the article titled: Structural Sensitivity of N1s Excitations in N-methylacetamide Solutions. For further details on the contents, see the "readme.md"-file.本数据集与配套脚本对应于题为《N-甲基乙酰胺（N-methylacetamide）溶液中N1s激发的结构敏感性》的学术论文。如需了解数据集内容的详细信息，请参阅"readme.md"文件。