Data quality metrics extracted from 6wzc.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": "e2cdc72e54b1b565eeb030adf85984ac",
  "space_group_name": "P 3 2 1",
  "unit_cell": {
    "a": 82.460,
    "b": 82.460,
    "c": 53.118,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.23980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.7108,2.195],
    "number_observations_unique": 10934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.7438
      },
      {
        "type": "R(meas)",
        "value": 0.7678
      },
      {
        "type": "R(pim)",
        "value": 0.1867
      },
      {
        "type": "I/SigI",
        "value": 2.96
      },
      {
        "type": "Completeness",
        "value": 99.62
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.887
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.274,2.195],
      "number_observations_unique": 1068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5781
        },
        {
          "type": "R(meas)",
          "value": 0.6193
        },
        {
          "type": "R(pim)",
          "value": 0.2183
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    }
  ]

}
  

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


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