Data quality metrics extracted from 8fgk.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": "77294e01b923293888ec4f53ec24a9d9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.527,
    "b": 117.768,
    "c": 162.867,
    "alpha": 90.00,
    "beta": 90.07,
    "gamma": 90.00
  },
  "wavelengths": [0.98453],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.24,2.25],
    "number_observations": 427240,
    "number_observations_unique": 93422,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "R(meas)",
        "value": 0.196
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.29,2.25],
      "number_observations": 20919,
      "number_observations_unique": 4538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.578
        },
        {
          "type": "R(meas)",
          "value": 2.903
        },
        {
          "type": "R(pim)",
          "value": 1.319
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.367
        }
      ]
    }
  ]

}
  

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


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