Data quality metrics extracted from 8px4.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": "ee5febc9cc53ef56ada480eb9558fa6a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 54.91,
    "b": 144.56,
    "c": 48.65,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [3.09000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.28,2.5],
    "number_observations_unique": 12470,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08298
      },
      {
        "type": "R(meas)",
        "value": 0.08386
      },
      {
        "type": "R(pim)",
        "value": 0.0117
      },
      {
        "type": "I/SigI",
        "value": 41.69
      },
      {
        "type": "Completeness",
        "value": 81.04
      },
      {
        "type": "Redundancy",
        "value": 49.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.5],
      "number_observations_unique": 1065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.433
        },
        {
          "type": "I/SigI",
          "value": 2.39
        },
        {
          "type": "Completeness",
          "value": 78.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.636
        }
      ]
    }
  ]

}
  

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


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