Data quality metrics extracted from 5nkb.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": "a134e79dd4f11700c4bf0530204f17bd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.816,
    "b": 107.688,
    "c": 40.515,
    "alpha": 90.00,
    "beta": 108.85,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.342,1.50],
    "number_observations_unique": 42520,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 12.1100
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.780
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.751
        },
        {
          "type": "I/SigI",
          "value": 2.19
        },
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    }
  ]

}
  

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


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