Data quality metrics extracted from 7wcl.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": "7da8f69139d110b4deca27fbef3ae7b4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 210.831,
    "b": 49.594,
    "c": 66.804,
    "alpha": 90.0,
    "beta": 107.5,
    "gamma": 90.0
  },
  "wavelengths": [1.58700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.87,2.495],
    "number_observations_unique": 21761,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06982
      },
      {
        "type": "R(meas)",
        "value": 0.07907
      },
      {
        "type": "I/SigI",
        "value": 15.13
      },
      {
        "type": "Completeness",
        "value": 93.45
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.584,2.495],
      "number_observations_unique": 1416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2876
        },
        {
          "type": "I/SigI",
          "value": 3.05
        },
        {
          "type": "Completeness",
          "value": 61.78
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    }
  ]

}
  

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


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