Data quality metrics extracted from 6fqd.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": "71ccf3277bf351b9e7eccdc273c5df25",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 110.963,
    "b": 110.963,
    "c": 110.632,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.28,2.1],
    "number_observations_unique": 38419,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08104
      },
      {
        "type": "R(meas)",
        "value": 0.09318
      },
      {
        "type": "R(pim)",
        "value": 0.04482
      },
      {
        "type": "I/SigI",
        "value": 10.34
      },
      {
        "type": "Completeness",
        "value": 98.28
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 3856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4298
        },
        {
          "type": "R(meas)",
          "value": 0.5026
        },
        {
          "type": "R(pim)",
          "value": 0.2529
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 98.32
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.786
        }
      ]
    }
  ]

}
  

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


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