Data quality metrics extracted from 4x8f.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": "bf0e817a26385c3472361bcae989fbfa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 129.220,
    "b": 130.849,
    "c": 145.690,
    "alpha": 110.52,
    "beta": 90.00,
    "gamma": 119.59
  },
  "wavelengths": [0.97300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.57,3.40],
    "number_observations_unique": 97045,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15
      },
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 92.9
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.58,3.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.46
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 85.6
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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