Data quality metrics extracted from 6o3j.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": "c2ba7ba51b2f427821e70dd9daa42023",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 181.859,
    "b": 43.931,
    "c": 154.526,
    "alpha": 90.00,
    "beta": 92.49,
    "gamma": 90.00
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.10,3.416],
    "number_observations_unique": 15913,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.210
      },
      {
        "type": "R(pim)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 4.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.875
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.48,3.416],
      "number_observations_unique": 810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.887
        },
        {
          "type": "R(pim)",
          "value": 0.466
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.572
        }
      ]
    }
  ]

}
  

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


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