Data quality metrics extracted from 2cfq.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": "8e750cb683fd9a15d16a796e394368f6",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 122.47,
    "b": 122.47,
    "c": 187.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.950],
    "number_observations_unique": 35514,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13000
      },
      {
        "type": "I/SigI",
        "value": 5.9500
      },
      {
        "type": "Completeness",
        "value": 82.5
      },
      {
        "type": "Redundancy",
        "value": 2.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.02,2.95],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48000
        },
        {
          "type": "I/SigI",
          "value": 1.390
        },
        {
          "type": "Completeness",
          "value": 70.3
        },
        {
          "type": "Redundancy",
          "value": 1.70
        }
      ]
    }
  ]

}
  

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


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