Data quality metrics extracted from 4bpt.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": "346bab4a4330cfd96b9d92cc989fca4a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 90.32,
    "b": 60.12,
    "c": 124.04,
    "alpha": 90.00,
    "beta": 94.07,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.00,2.50],
    "number_observations_unique": 41892,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 0.00
      },
      {
        "type": "Completeness",
        "value": 90.4
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39
        },
        {
          "type": "I/SigI",
          "value": 2.20
        },
        {
          "type": "Completeness",
          "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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