Data quality metrics extracted from 6hll.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": "820b08d2239e855755a09f0adccb10c5",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 61.996,
    "b": 122.733,
    "c": 286.494,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.88,3.27],
    "number_observations_unique": 17430,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.125
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 32.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.53,3.27],
      "number_observations_unique": 3479,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.886
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 29.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.311
        }
      ]
    }
  ]

}
  

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


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