Data quality metrics extracted from 4g03.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": "ccee1e9b67a82d49120cfd3e5a8784bb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.570,
    "b": 58.670,
    "c": 95.675,
    "alpha": 75.71,
    "beta": 88.07,
    "gamma": 73.63
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.219,2.216],
    "number_observations_unique": 58401,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 23.337
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    }
  ]

}
  

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


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