Data quality metrics extracted from 4y3a.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": "ab490f51c2ceb84eae336f3ceb867d2e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.169,
    "b": 72.992,
    "c": 52.560,
    "alpha": 90.00,
    "beta": 109.11,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.680,1.170],
    "number_observations_unique": 102974,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03200
      },
      {
        "type": "I/SigI",
        "value": 19.9000
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18800
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 72.4
        },
        {
          "type": "Redundancy",
          "value": 2.40
        }
      ]
    }
  ]

}
  

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


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