Data quality metrics extracted from 6sun.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": "638e66ce33ddd227f80eebdd94dfd8c9",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 126.64,
    "b": 54.46,
    "c": 64.63,
    "alpha": 90.00,
    "beta": 113.28,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60,1.35],
    "number_observations_unique": 88781,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 13.5
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 13.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.35],
      "number_observations_unique": 6187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.77
        },
        {
          "type": "R(meas)",
          "value": 2.87
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 95.0
        },
        {
          "type": "Redundancy",
          "value": 14.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.681
        }
      ]
    }
  ]

}
  

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


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