Data quality metrics extracted from 1kh4.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": "411d8ff9b398ec9be4e5285a10799690",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 163.62,
    "b": 163.62,
    "c": 138.88,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.4],
    "number_observations_unique": 31594,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 26.9
      },
      {
        "type": "Completeness",
        "value": 73.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.51,2.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 69
        }
      ]
    }
  ]

}
  

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


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