Data quality metrics extracted from 1k9x.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": "4a93164f06963be87cec899918edf05d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.342,
    "b": 86.780,
    "c": 107.895,
    "alpha": 88.64,
    "beta": 78.54,
    "gamma": 69.44
  },
  "wavelengths": [1.00000,1.38600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.3],
    "number_observations_unique": 98094,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0360000
      },
      {
        "type": "I/SigI",
        "value": 26.2
      },
      {
        "type": "Completeness",
        "value": 93.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0870000
        },
        {
          "type": "Completeness",
          "value": 80.5
        }
      ]
    }
  ]

}
  

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


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