Data quality metrics extracted from 5k64.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": "0f275860236d15b46c7dde67341d4356",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 92.72,
    "b": 38.86,
    "c": 97.20,
    "alpha": 90.00,
    "beta": 94.23,
    "gamma": 90.00
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.23,2.44],
    "number_observations_unique": 26251,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08183
      },
      {
        "type": "I/SigI",
        "value": 9.12
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.527,2.44],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.62
        },
        {
          "type": "I/SigI",
          "value": 0.75
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 4.0
        }
      ]
    }
  ]

}
  

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


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