Data quality metrics extracted from 1k0l.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": "12c0607517bbb27b4c44b2bdf84fef32",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 70.875,
    "b": 138.882,
    "c": 92.140,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.64,2.0],
    "number_observations_unique": 30046,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0960000
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 8.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.00],
      "number_observations_unique": 4116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7890000
        },
        {
          "type": "Completeness",
          "value": 89.7
        }
      ]
    }
  ]

}
  

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


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