Crystallographic data for publication "From Disorder to Continuum: Accurate Hydrogen-Atom Positioning in Molecular Solids"

The data include re-refinment of previously published X-ray diffraction data (in the folder "org") using Hirshfeld atom refinment (HAR), and HAR of newly acquired X-ray diffraction data (in the folder "our").本数据集涵盖两类数据处理工作：其一为使用赫希菲尔德原子精修（Hirshfeld Atom Refinement, HAR）对已发表的X射线衍射数据（存放于"org"文件夹内）进行再精修；其二为对新获取的X射线衍射数据（存放于"our"文件夹内）开展赫希菲尔德原子精修。