Data quality metrics extracted from 5x19.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": "ca614a8fc72aba83bae681c9726e383b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 185.034,
    "b": 208.846,
    "c": 178.046,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.23970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.20],
    "number_observations_unique": 336147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1677
      },
      {
        "type": "I/SigI",
        "value": 11.78
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 70.89
      },
      {
        "type": "CC(1/2)",
        "value": 0.9429
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 15196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3812
        },
        {
          "type": "Completeness",
          "value": 88.4
        },
        {
          "type": "Redundancy",
          "value": 5.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.5907
        }
      ]
    }
  ]

}
  

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


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