Data quality metrics extracted from 8ejs.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": "5f59941982a4b00a317f592ef7823680",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 77.690,
    "b": 68.908,
    "c": 144.092,
    "alpha": 90.000,
    "beta": 90.851,
    "gamma": 90.000
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.40,2.82],
    "number_observations_unique": 18329,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.585
      },
      {
        "type": "R(meas)",
        "value": 0.608
      },
      {
        "type": "R(pim)",
        "value": 0.164
      },
      {
        "type": "I/SigI",
        "value": 3.4
      },
      {
        "type": "Completeness",
        "value": 98.46
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.934
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.921,2.82],
      "number_observations_unique": 1838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.910
        },
        {
          "type": "R(meas)",
          "value": 0.947
        },
        {
          "type": "R(pim)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 98.87
        },
        {
          "type": "Redundancy",
          "value": 13.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.747
        }
      ]
    }
  ]

}
  

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


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