Data quality metrics extracted from 8znl.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": "98a1844825f5b734637e0380139c67d2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.872,
    "b": 58.956,
    "c": 63.299,
    "alpha": 92.52,
    "beta": 90.02,
    "gamma": 94.80
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.46,1.77],
    "number_observations_unique": 60509,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1528
      },
      {
        "type": "R(meas)",
        "value": 0.1891
      },
      {
        "type": "R(pim)",
        "value": 0.1096
      },
      {
        "type": "I/SigI",
        "value": 4.26
      },
      {
        "type": "Completeness",
        "value": 96.04
      },
      {
        "type": "Redundancy",
        "value": 2.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.833,1.77],
      "number_observations_unique": 6050,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "R(meas)",
          "value": 0.6735
        },
        {
          "type": "R(pim)",
          "value": 0.3927
        },
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 95.56
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.673
        }
      ]
    }
  ]

}
  

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


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