Data quality metrics extracted from 7nyj.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": "1843a92047d9749070fbad349c359f22",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 53.80,
    "b": 53.80,
    "c": 91.67,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.6,1.81],
    "number_observations_unique": 13957,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0795
      },
      {
        "type": "I/SigI",
        "value": 13.26
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 20.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.81],
      "number_observations_unique": 2889,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.07
        },
        {
          "type": "I/SigI",
          "value": 1.87
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 20
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    }
  ]

}
  

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


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