Data quality metrics extracted from 4oej.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": "9d205ab4ca12b2e7ff991b426b7cfe76",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 71.58,
    "b": 71.58,
    "c": 174.92,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97970,0.95665],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.37,2.2],
    "number_observations_unique": 27236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 18.8
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 10.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.2],
      "number_observations_unique": 3905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.669
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 9.9
        }
      ]
    },
    {
      "resolution_limits": [87.37,6.96],
      "number_observations_unique": 974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 43.1
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 9.2
        }
      ]
    }
  ]

}
  

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


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