Data quality metrics extracted from 6zd2.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": "c587fd0fa72c22584aa13c28fc2e2eaa",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 114.90,
    "b": 154.85,
    "c": 107.48,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97891],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [82.82,2.84],
    "number_observations_unique": 22283,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07759
      },
      {
        "type": "R(meas)",
        "value": 0.08429
      },
      {
        "type": "I/SigI",
        "value": 17.32
      },
      {
        "type": "Completeness",
        "value": 96.90
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.944,2.842],
      "number_observations_unique": 2280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6251
        },
        {
          "type": "R(meas)",
          "value": 0.6767
        },
        {
          "type": "R(pim)",
          "value": 0.2574
        },
        {
          "type": "I/SigI",
          "value": 2.53
        },
        {
          "type": "Completeness",
          "value": 99.56
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    }
  ]

}
  

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


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