Data quality metrics extracted from 8hqq.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": "b9386e67f4ba7999db79b72a7c8499e6",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 44.642,
    "b": 44.642,
    "c": 329.112,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.02,1.86],
    "number_observations_unique": 33089,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.239
      },
      {
        "type": "R(meas)",
        "value": 0.248
      },
      {
        "type": "I/SigI",
        "value": 6.28
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 12.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.98,1.86],
      "number_observations_unique": 4941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.521
        },
        {
          "type": "R(meas)",
          "value": 0.545
        },
        {
          "type": "I/SigI",
          "value": 1.08
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "Redundancy",
          "value": 9.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    }
  ]

}
  

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


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