Data quality metrics extracted from 4khm.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": "6657da5fe85e50cc1b744be19e12d7ee",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.030,
    "b": 61.111,
    "c": 91.682,
    "alpha": 89.63,
    "beta": 87.06,
    "gamma": 80.91
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.660],
    "number_observations_unique": 130250,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08800
      },
      {
        "type": "I/SigI",
        "value": 6.4000
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 4.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58700
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 4.00
        }
      ]
    }
  ]

}
  

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


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