Data quality metrics extracted from 2hqa.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": "248a234e5f02c6a92bdbee5d2ac8f671",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.112,
    "b": 98.264,
    "c": 139.475,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.500],
    "number_observations_unique": 38487,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 13.200
      },
      {
        "type": "Completeness",
        "value": 96.600
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations_unique": 3463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.792
        },
        {
          "type": "I/SigI",
          "value": 1.13
        },
        {
          "type": "Completeness",
          "value": 87.90
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    }
  ]

}
  

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


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