Data quality metrics extracted from 6hu1.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": "482c51bfd0362fec02c301a134a6828f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.22,
    "b": 71.19,
    "c": 99.03,
    "alpha": 78.27,
    "beta": 75.65,
    "gamma": 85.73
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.42,1.996],
    "number_observations_unique": 120126,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1075
      },
      {
        "type": "I/SigI",
        "value": 8.67
      },
      {
        "type": "Completeness",
        "value": 95.84
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.068,1.996],
      "number_observations_unique": 11466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7312
        },
        {
          "type": "I/SigI",
          "value": 1.64
        },
        {
          "type": "Completeness",
          "value": 91.52
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.653
        }
      ]
    }
  ]

}
  

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


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