Data quality metrics extracted from 9zpn.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "33e22a150520ca4f684b89ddf8873ffc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.360,
    "b": 57.529,
    "c": 65.521,
    "alpha": 89.04,
    "beta": 89.72,
    "gamma": 89.28
  },
  "wavelengths": [3.39680],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.6,2.2],
    "number_observations_unique": 24252,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 84.4
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.371,2.25],
      "number_observations_unique": 2696,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 73.22
        },
        {
          "type": "Redundancy",
          "value": 2.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    }
  ]

}
  

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


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