Data quality metrics extracted from 8qid.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": "42a123b88466968072d46b40547a1a45",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 76.281,
    "b": 125.363,
    "c": 119.062,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [119.06,1.73],
    "number_observations": 470553,
    "number_observations_unique": 60242,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "R(meas)",
        "value": 0.255
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.73],
      "number_observations": 68378,
      "number_observations_unique": 8726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.005
        },
        {
          "type": "R(meas)",
          "value": 1.073
        },
        {
          "type": "R(pim)",
          "value": 0.372
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Redundancy",
          "value": 7.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
        }
      ]
    }
  ]

}
  

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


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