Data quality metrics extracted from 5jqx.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": "c6c19a443065f79185d132837a962ef9",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 138.668,
    "b": 128.180,
    "c": 138.444,
    "alpha": 90.00,
    "beta": 90.34,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.504,2.82],
    "number_observations_unique": 58106,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06619
      },
      {
        "type": "I/SigI",
        "value": 10.48
      },
      {
        "type": "Completeness",
        "value": 99.37
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.921,2.82],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5487
        },
        {
          "type": "I/SigI",
          "value": 2.29
        },
        {
          "type": "Completeness",
          "value": 99.09
        },
        {
          "type": "Redundancy",
          "value": 2.9
        }
      ]
    }
  ]

}
  

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


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