Data quality metrics extracted from 4bca.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": "cce52510a5291ccc5eb4e3f4adc6dd57",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.68,
    "b": 99.32,
    "c": 107.98,
    "alpha": 90.43,
    "beta": 92.12,
    "gamma": 95.20
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.00,2.40],
    "number_observations_unique": 98369,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16
      },
      {
        "type": "I/SigI",
        "value": 8.80
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.50,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.75
        },
        {
          "type": "I/SigI",
          "value": 2.30
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    }
  ]

}
  

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


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