Data quality metrics extracted from 7bkr.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": "f75a220cea03df2d3279e22302ea69c1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.893,
    "b": 74.003,
    "c": 45.817,
    "alpha": 90.00,
    "beta": 108.97,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.33,2.10],
    "number_observations_unique": 19537,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.2427
      },
      {
        "type": "I/SigI",
        "value": 6.65
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,2.10],
      "number_observations_unique": 1969,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.8456
        },
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.63
        }
      ]
    }
  ]

}
  

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


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