Data quality metrics extracted from 6cgf.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": "8dc4588f2c07bf787dc8e17b405dee1b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.700,
    "b": 72.704,
    "c": 109.048,
    "alpha": 90.00,
    "beta": 100.21,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.065,1.94],
    "number_observations_unique": 92404,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03208
      },
      {
        "type": "R(meas)",
        "value": 0.03806
      },
      {
        "type": "R(pim)",
        "value": 0.0203
      },
      {
        "type": "I/SigI",
        "value": 16.24
      },
      {
        "type": "Completeness",
        "value": 99.48
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.94],
      "number_observations_unique": 14861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.00
        },
        {
          "type": "R(meas)",
          "value": 1.197
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.479
        }
      ]
    }
  ]

}
  

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


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