Data quality metrics extracted from 12lb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "8fc0214b8bbe660d3ebc4661e8f4f416",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 94.188,
    "b": 94.188,
    "c": 122.012,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.26],
    "number_observations_unique": 105547,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 8.39
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 5.88
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.34,1.26],
      "number_observations_unique": 15194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.822
        },
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "Completeness",
          "value": 86.7
        },
        {
          "type": "Redundancy",
          "value": 2.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.637
        }
      ]
    }
  ]

}
  

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


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