Data quality metrics extracted from 8qj3.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": "ab85df4d774d1be6adde1e770d3c3294",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 114.757,
    "b": 114.757,
    "c": 278.565,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.61,1.90],
    "number_observations": 624924,
    "number_observations_unique": 107695,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "number_observations": 29533,
      "number_observations_unique": 5208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.351
        },
        {
          "type": "R(meas)",
          "value": 1.487
        },
        {
          "type": "R(pim)",
          "value": 0.621
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.404
        }
      ]
    }
  ]

}
  

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


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