Data quality metrics extracted from 4a8f.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": "bf090629fbddc7437fe84dd06e385886",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.915,
    "b": 91.766,
    "c": 140.461,
    "alpha": 90.00,
    "beta": 101.25,
    "gamma": 90.00
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,3.30],
    "number_observations_unique": 39855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.27
      },
      {
        "type": "I/SigI",
        "value": 6.30
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.40,3.30],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    }
  ]

}
  

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


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