Data quality metrics extracted from 4bpj.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": "645a6171e08cb4a0e30d1a93832202b2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 78.458,
    "b": 60.260,
    "c": 44.804,
    "alpha": 90.00,
    "beta": 118.47,
    "gamma": 90.00
  },
  "wavelengths": [1.26511],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.69,1.60],
    "number_observations_unique": 24069,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 15.78
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.57
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.46
        },
        {
          "type": "I/SigI",
          "value": 2.53
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 5.75
        }
      ]
    }
  ]

}
  

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


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