Data quality metrics extracted from 6v8b.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": "5cb398e4d93027c0b255687569ec34c7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 45.782,
    "b": 105.010,
    "c": 168.930,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.460,3.130],
    "number_observations": 46232,
    "number_observations_unique": 7489,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.244
      },
      {
        "type": "R(meas)",
        "value": 0.299
      },
      {
        "type": "R(pim)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 9.100
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 6.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.958
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.300,3.130],
      "number_observations": 6439,
      "number_observations_unique": 1091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.826
        },
        {
          "type": "R(meas)",
          "value": 0.968
        },
        {
          "type": "R(pim)",
          "value": 0.407
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    }
  ]

}
  

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


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