Data quality metrics extracted from 6zwt.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": "ca487d3505914d9d44c4e861772dec07",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.470,
    "b": 49.703,
    "c": 52.727,
    "alpha": 90.07,
    "beta": 99.01,
    "gamma": 103.98
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.2,2.2],
    "number_observations_unique": 23437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.2],
      "number_observations_unique": 1999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.85
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    }
  ]

}
  

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


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