Data quality metrics extracted from 5q0y.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": "55cd61a1246302723c4023b12e64ccb8",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 72.37,
    "b": 84.48,
    "c": 189.68,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.5,2.20],
    "number_observations_unique": 29935,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0653
      },
      {
        "type": "I/SigI",
        "value": 18.19
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 7.35
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.20],
      "number_observations_unique": 3652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5071
        },
        {
          "type": "I/SigI",
          "value": 3.74
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 7.37
        }
      ]
    }
  ]

}
  

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


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