Data quality metrics extracted from 8aeq.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": "db94a875342465513a4bd9422401d073",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 102.069,
    "b": 123.652,
    "c": 74.252,
    "alpha": 90.0,
    "beta": 105.5,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.67,1.64],
    "number_observations_unique": 196275,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02829
      },
      {
        "type": "R(meas)",
        "value": 0.04001
      },
      {
        "type": "R(pim)",
        "value": 0.02829
      },
      {
        "type": "I/SigI",
        "value": 11.08
      },
      {
        "type": "Completeness",
        "value": 96.61
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.699,1.64],
      "number_observations_unique": 19284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8341
        },
        {
          "type": "R(pim)",
          "value": 0.8341
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "Completeness",
          "value": 94.63
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    }
  ]

}
  

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


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