Data quality metrics extracted from 4y4b.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": "ce1df1d60e73c1c8667af17b5c1ce643",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.364,
    "b": 73.209,
    "c": 52.873,
    "alpha": 90.00,
    "beta": 109.45,
    "gamma": 90.00
  },
  "wavelengths": [0.89500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.775,1.108],
    "number_observations_unique": 125728,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04800
      },
      {
        "type": "I/SigI",
        "value": 14.3200
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.11],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49600
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 86.7
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    }
  ]

}
  

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


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