Data quality metrics extracted from 1k9u.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": "8a42a370a74f66cb8604dcafb40fbd86",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.084,
    "b": 56.205,
    "c": 37.238,
    "alpha": 90.00,
    "beta": 90.23,
    "gamma": 90.00
  },
  "wavelengths": [0.84820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [14,1.75],
    "number_observations_unique": 13072,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 35.3
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "number_observations_unique": 638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.7
        }
      ]
    }
  ]

}
  

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


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