Data quality metrics extracted from 5zbz.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": "8b846ed70d68925c70311808259cde94",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 73.471,
    "b": 56.630,
    "c": 66.324,
    "alpha": 90.000,
    "beta": 116.775,
    "gamma": 90.000
  },
  "wavelengths": [0.97925],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.49,1.309],
    "number_observations_unique": 53159,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02669
      },
      {
        "type": "R(meas)",
        "value": 0.03775
      },
      {
        "type": "R(pim)",
        "value": 0.02669
      },
      {
        "type": "I/SigI",
        "value": 12.23
      },
      {
        "type": "Completeness",
        "value": 90.66
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.355,1.309],
      "number_observations_unique": 5697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3181
        },
        {
          "type": "R(meas)",
          "value": 0.4498
        },
        {
          "type": "R(pim)",
          "value": 0.3181
        },
        {
          "type": "I/SigI",
          "value": 2.21
        },
        {
          "type": "Completeness",
          "value": 97.52
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    }
  ]

}
  

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


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