Data quality metrics extracted from 1jzl.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": "1393aa4cac362d42fc1fa7281af43911",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 93.11,
    "b": 43.97,
    "c": 83.44,
    "alpha": 90.00,
    "beta": 122.01,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,1.5],
    "number_observations_unique": 40783,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0660000
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 88.1
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.5],
      "number_observations_unique": 1842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2350000
        },
        {
          "type": "Completeness",
          "value": 39.9
        }
      ]
    }
  ]

}
  

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


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