Data quality metrics extracted from 7zik.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": "c91a1fa70801d4c7e3e9e18b2b696576",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.090,
    "b": 57.581,
    "c": 62.587,
    "alpha": 107.651,
    "beta": 93.143,
    "gamma": 90.151
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.01,2.589],
    "number_observations_unique": 18984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1845
      },
      {
        "type": "I/SigI",
        "value": 6.77
      },
      {
        "type": "Completeness",
        "value": 97.48
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.68,2.59],
      "number_observations_unique": 1763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7889
        }
      ]
    }
  ]

}
  

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


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