Data quality metrics extracted from 6qd6.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": "87549ac6acfd52cf01020af340090c92",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.17,
    "b": 92.92,
    "c": 244.22,
    "alpha": 92.05,
    "beta": 96.93,
    "gamma": 112.15
  },
  "wavelengths": [0.97623],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.45,2.84],
    "number_observations_unique": 129248,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 11.65
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 1.78
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.90,2.84],
      "number_observations_unique": 7733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "R(meas)",
          "value": 0.663
        },
        {
          "type": "I/SigI",
          "value": 1.45
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 1.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    }
  ]

}
  

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


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