Data quality metrics extracted from 8hll.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": "ff41a7e5cf47b4c6bb9c7a8a732480cb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 46.87,
    "b": 70.48,
    "c": 126.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.6240,2.62],
    "number_observations_unique": 13228,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2568
      },
      {
        "type": "R(meas)",
        "value": 0.2679
      },
      {
        "type": "R(pim)",
        "value": 0.07537
      },
      {
        "type": "I/SigI",
        "value": 39.74
      },
      {
        "type": "Completeness",
        "value": 99.74
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.714,2.62],
      "number_observations_unique": 1299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.185
        },
        {
          "type": "R(pim)",
          "value": 0.3408
        },
        {
          "type": "I/SigI",
          "value": 2.83
        },
        {
          "type": "Completeness",
          "value": 99.85
        },
        {
          "type": "Redundancy",
          "value": 13.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.867
        }
      ]
    }
  ]

}
  

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


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