Data quality metrics extracted from 2hje.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "874e58f46671ec8b4b8863b8e79830b6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.446,
    "b": 36.152,
    "c": 49.185,
    "alpha": 82.18,
    "beta": 86.14,
    "gamma": 67.28
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,1.70],
    "number_observations_unique": 21488,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 92.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.2
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):