Data quality metrics extracted from 3rj5.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": "17d61e98453760bb8b2f56bc5355ae32",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 149.30,
    "b": 53.87,
    "c": 76.75,
    "alpha": 90.0,
    "beta": 103.6,
    "gamma": 90.0
  },
  "wavelengths": [0.97245],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.25,1.45],
    "number_observations_unique": 103038,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.118
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.45],
      "number_observations_unique": 13812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 90.3
        },
        {
          "type": "Redundancy",
          "value": 3.0
        }
      ]
    }
  ]

}
  

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


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