Data quality metrics extracted from 4ont.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": "fc76dfc1c2c1b0c7336fd2bf14926bd4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.459,
    "b": 82.536,
    "c": 85.752,
    "alpha": 112.50,
    "beta": 110.71,
    "gamma": 99.98
  },
  "wavelengths": [1.07000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.09,2.15],
    "number_observations_unique": 88718,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.15],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.33
        },
        {
          "type": "Completeness",
          "value": 94.4
        }
      ]
    }
  ]

}
  

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


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