Data quality metrics extracted from 8cqx.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": "98cbb51d489bec7087c7f289b27fd4bc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.307,
    "b": 155.608,
    "c": 82.915,
    "alpha": 90.00,
    "beta": 96.37,
    "gamma": 90.00
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.27],
    "number_observations_unique": 51152,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.158
      },
      {
        "type": "I/SigI",
        "value": 3.8860
      },
      {
        "type": "Completeness",
        "value": 99.40
      },
      {
        "type": "Redundancy",
        "value": 3.40
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.27],
      "number_observations_unique": 25537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34
        },
        {
          "type": "I/SigI",
          "value": 2.03
        }
      ]
    }
  ]

}
  

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


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