Data quality metrics extracted from 1ocn.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": "af7614e4d91c485c535542b83e473b3e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.357,
    "b": 69.842,
    "c": 51.950,
    "alpha": 90.00,
    "beta": 113.52,
    "gamma": 90.00
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,1.310],
    "number_observations_unique": 77018,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 17.9000
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "Redundancy",
        "value": 6.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.31],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27500
        },
        {
          "type": "I/SigI",
          "value": 7.600
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 5.60
        }
      ]
    }
  ]

}
  

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


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