Data quality metrics extracted from 5m4z.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": "41e10a7c1999ed9214f6480fcc6bb8f6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.29,
    "b": 52.78,
    "c": 63.92,
    "alpha": 72.47,
    "beta": 68.03,
    "gamma": 61.15
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.092,1.179],
    "number_observations_unique": 172936,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 16.43
      },
      {
        "type": "Completeness",
        "value": 97.41
      },
      {
        "type": "Redundancy",
        "value": 3.61
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.210,1.179],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89
        }
      ]
    }
  ]

}
  

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


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