Data quality metrics extracted from 8px5.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": "e6f9c2f46a9a9d406e4363b80a879973",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.1,
    "b": 46.9,
    "c": 32.3,
    "alpha": 90.0,
    "beta": 99.0,
    "gamma": 90.0
  },
  "wavelengths": [2.75520],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.87,1.775],
    "number_observations_unique": 10445,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04513
      },
      {
        "type": "R(meas)",
        "value": 0.04915
      },
      {
        "type": "R(pim)",
        "value": 0.01897
      },
      {
        "type": "I/SigI",
        "value": 22.91
      },
      {
        "type": "Completeness",
        "value": 64.89
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.838,1.775],
      "number_observations_unique": 653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2519
        },
        {
          "type": "I/SigI",
          "value": 3.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    }
  ]

}
  

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


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