Data quality metrics extracted from 6nj3.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": "838aa190d695246d6b8be59cf614180a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.144,
    "b": 69.083,
    "c": 81.106,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.560,1.010],
    "number_observations_unique": 115504,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 27.2800
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 10.66
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.04,1.01],
      "number_observations_unique": 1987,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 135.1
        },
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 86.6
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.39
        }
      ]
    }
  ]

}
  

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


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