Data quality metrics extracted from 5kca.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": "bafe89b53817c556a59b58bb94b2d65e",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 142.68,
    "b": 142.68,
    "c": 276.14,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96862],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.05,3.10],
    "number_observations_unique": 30725,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.224
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 7.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.18,3.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.377
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 7.5
        }
      ]
    }
  ]

}
  

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


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