Data quality metrics extracted from 1hx8.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": "b5d21305812a1b641a5cfce3379ac3b7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.632,
    "b": 106.933,
    "c": 79.207,
    "alpha": 90.0,
    "beta": 119.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97930,0.97880,0.97120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.2],
    "number_observations_unique": 274148,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0760000
      },
      {
        "type": "I/SigI",
        "value": 33.0
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 7.07
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.20],
      "number_observations_unique": 3893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3370000
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.8
        }
      ]
    }
  ]

}
  

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


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