Data quality metrics extracted from 1d1k.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": "c860cbf5133044c3c573e3163c547efa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.223,
    "b": 44.131,
    "c": 53.710,
    "alpha": 106.05,
    "beta": 106.38,
    "gamma": 99.26
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.8,2.0],
    "number_observations_unique": 22215,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 12.17
      },
      {
        "type": "Completeness",
        "value": 91.0
      },
      {
        "type": "Redundancy",
        "value": 1.73
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.00],
      "number_observations_unique": 400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 41.1
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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