Data quality metrics extracted from 4z4y.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": "d23c64acd5c4cd220951835cea95764f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.123,
    "b": 78.671,
    "c": 69.775,
    "alpha": 90.00,
    "beta": 100.36,
    "gamma": 90.00
  },
  "wavelengths": [0.98446],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.2,1.797],
    "number_observations_unique": 63976,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04777
      },
      {
        "type": "I/SigI",
        "value": 18.00
      },
      {
        "type": "Completeness",
        "value": 99.08
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.861,1.797],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.12
        },
        {
          "type": "Completeness",
          "value": 95.54
        },
        {
          "type": "Redundancy",
          "value": 3.1
        }
      ]
    }
  ]

}
  

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


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