Data quality metrics extracted from 5nkg.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": "9e5ea6eccd8df44250abe9d963811c71",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.736,
    "b": 107.202,
    "c": 40.471,
    "alpha": 90.00,
    "beta": 108.75,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.106,1.10],
    "number_observations_unique": 100653,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 12.0500
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 2.510
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.10],
      "number_observations_unique": 6951,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.696
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "Completeness",
          "value": 91.4
        }
      ]
    }
  ]

}
  

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


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