Data quality metrics extracted from 5ys4.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": "6c2996ba1fa741e697b74f37a014b359",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.79,
    "b": 56.78,
    "c": 91.40,
    "alpha": 76.56,
    "beta": 84.48,
    "gamma": 89.99
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.340,2.300],
    "number_observations_unique": 36968,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14500
      },
      {
        "type": "I/SigI",
        "value": 4.9000
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 2.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations_unique": 3613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.80000
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 2.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.707
        }
      ]
    }
  ]

}
  

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


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