Data quality metrics extracted from 8gqc.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": "ca137e038d8fec81bba181ee9bb6d7b7",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 87.012,
    "b": 87.012,
    "c": 76.774,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.99995],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.85,1.35],
    "number_observations_unique": 55560,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      },
      {
        "type": "R(pim)",
        "value": 0.010
      },
      {
        "type": "I/SigI",
        "value": 1.2
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 20
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.485,1.351],
      "number_observations_unique": 53798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.733
        },
        {
          "type": "R(pim)",
          "value": 0.403
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 72.1
        },
        {
          "type": "Redundancy",
          "value": 19.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    }
  ]

}
  

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


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