Data quality metrics extracted from 5nvj.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": "e715adcd1e8de8a65e40df9aa9014684",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 76.61,
    "b": 35.43,
    "c": 64.30,
    "alpha": 90.0,
    "beta": 135.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.7,1.18],
    "number_observations_unique": 40754,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 9.98
      },
      {
        "type": "Completeness",
        "value": 92.4
      },
      {
        "type": "Redundancy",
        "value": 1.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.2,1.18],
      "number_observations_unique": 3626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 1.01
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 1.77
        }
      ]
    }
  ]

}
  

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


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