Extended Data Table 2 Hydrate systems used for validation

From: Predicting crystal form stability under real-world conditions

  1. \({\sigma }_{\Delta {\rm{F}}}\) represents one standard deviation of the error for the free energy difference between two crystal structures. \(\Delta {\rm{F}}-\Delta \hat{{\rm{F}}}\) is the deviation between the calculated and the experimental free energy difference. Further information about experimental data and validation results can be found in the Supplementary Information.
  2. *Experimental structure contains disorder.
  3. †Reference critical water activity is not reversibly determined.
  4. ‡Experimental structure was corrected based on calculations, further details are provided in the Supplementary Information.
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