Data quality metrics extracted from 8kfs.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": "daa7fa4da1195e1450eec3524b504a18",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.263,
    "b": 78.028,
    "c": 63.456,
    "alpha": 90.000,
    "beta": 98.115,
    "gamma": 90.000
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.15],
    "number_observations_unique": 28620,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.143
      },
      {
        "type": "I/SigI",
        "value": 13.02
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 6.80
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.15],
      "number_observations_unique": 5689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.763
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.837
        }
      ]
    }
  ]

}
  

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


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