Data quality metrics extracted from 2hk8.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": "8814100b187a30cad95221a02679d623",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.361,
    "b": 73.960,
    "c": 192.107,
    "alpha": 94.64,
    "beta": 94.16,
    "gamma": 91.81
  },
  "wavelengths": [1.05517],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.35],
    "number_observations_unique": 74160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 87.2
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 44.8
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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