Data quality metrics extracted from 8oyx.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": "792508a25e96efde1be1981d1399d156",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.726,
    "b": 52.084,
    "c": 58.392,
    "alpha": 94.08,
    "beta": 104.36,
    "gamma": 110.80
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.93,2.11],
    "number_observations_unique": 20309,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04953
      },
      {
        "type": "I/SigI",
        "value": 9.89
      },
      {
        "type": "Completeness",
        "value": 88.48
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.185,2.11],
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "I/SigI",
          "value": 3.35
        },
        {
          "type": "Completeness",
          "value": 92.81
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    }
  ]

}
  

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


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