Data quality metrics extracted from 4y44.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": "ff72bf41b6c3265fea87c4a6c3685cb0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.213,
    "b": 72.871,
    "c": 52.553,
    "alpha": 90.0,
    "beta": 109.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.690,1.240],
    "number_observations_unique": 88968,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03200
      },
      {
        "type": "I/SigI",
        "value": 20.3000
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.24],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.01830
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 91.0
        },
        {
          "type": "Redundancy",
          "value": 3.20
        }
      ]
    }
  ]

}
  

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


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