Data quality metrics extracted from 6cy2.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": "1606e58e8d6c8eaf36b6e5b24240d421",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 31.5,
    "b": 31.5,
    "c": 85.6,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91830],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.4,1.40],
    "number_observations_unique": 16014,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 11.0
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.684
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
        }
      ]
    }
  ]

}
  

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


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