Data quality metrics extracted from 3zy6.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": "1be7cffe83bc5367cf22b20e3c2815bd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 144.583,
    "b": 38.156,
    "c": 68.101,
    "alpha": 90.00,
    "beta": 102.85,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.91],
    "number_observations_unique": 39386,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 9.27
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 4.37
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.91],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52
        },
        {
          "type": "I/SigI",
          "value": 1.97
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 3.91
        }
      ]
    }
  ]

}
  

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


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