Data quality metrics extracted from 2hqx.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": "26870c81774a1cb1f5c5dd217569af66",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 30.777,
    "b": 37.684,
    "c": 40.202,
    "alpha": 90.03,
    "beta": 105.32,
    "gamma": 99.72
  },
  "wavelengths": [0.97900,0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.72,1.42],
    "number_observations_unique": 25303,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 15.6
      },
      {
        "type": "Completeness",
        "value": 82.17
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.46,1.42],
      "number_observations_unique": 212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 23.08
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    }
  ]

}
  

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


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