Data quality metrics extracted from 4jzq.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": "31d4265694e89b335bee6fd245b3cf9d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.381,
    "b": 69.691,
    "c": 83.420,
    "alpha": 90.0,
    "beta": 90.1,
    "gamma": 90.0
  },
  "wavelengths": [0.95363],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.48,1.35],
    "number_observations_unique": 99542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.35],
      "number_observations_unique": 10480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 67.6
        },
        {
          "type": "Redundancy",
          "value": 2.9
        }
      ]
    }
  ]

}
  

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


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