Data quality metrics extracted from 4oc9.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": "53628a6c7b00efe4f14a13d805aac6de",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.434,
    "b": 149.787,
    "c": 186.591,
    "alpha": 100.58,
    "beta": 92.47,
    "gamma": 90.10
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.350],
    "number_observations_unique": 255734,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11300
      },
      {
        "type": "I/SigI",
        "value": 10.9000
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44800
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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