Data quality metrics extracted from 1xhe.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": "f899bcd2ccfbf5acc84b99b895a95575",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 86.695,
    "b": 86.695,
    "c": 214.710,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97896,0.97139],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.536,2.50],
    "number_observations_unique": 17085,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 18.2
      },
      {
        "type": "Completeness",
        "value": 98.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations_unique": 1604,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    }
  ]

}
  

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


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