Data quality metrics extracted from 7rrz.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": "27f8acb1977c2517e42bc95e38474ca8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.546,
    "b": 58.915,
    "c": 93.457,
    "alpha": 87.24,
    "beta": 75.18,
    "gamma": 62.93
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.06,1.83],
    "number_observations_unique": 54405,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Completeness",
        "value": 87.5
      },
      {
        "type": "Redundancy",
        "value": 7.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.83],
      "number_observations_unique": 2720,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.543
        }
      ]
    }
  ]

}
  

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


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