Data quality metrics extracted from 6zz4.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": "b25f9d07bb89def539ab1f3728ae5824",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 142.89,
    "b": 55.98,
    "c": 101.42,
    "alpha": 90.00,
    "beta": 120.74,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.71,2.43],
    "number_observations_unique": 25798,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1178
      },
      {
        "type": "R(meas)",
        "value": 0.1276
      },
      {
        "type": "R(pim)",
        "value": 0.04844
      },
      {
        "type": "I/SigI",
        "value": 10.97
      },
      {
        "type": "Completeness",
        "value": 98.23
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.52,2.43],
      "number_observations_unique": 2471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6404
        },
        {
          "type": "R(meas)",
          "value": 0.6936
        },
        {
          "type": "R(pim)",
          "value": 0.2632
        },
        {
          "type": "I/SigI",
          "value": 2.38
        },
        {
          "type": "Completeness",
          "value": 94.26
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    }
  ]

}
  

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


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