Data quality metrics extracted from 3nqs.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": "4fc376a83b3a2eec7fe4846d21a61d9a",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 214.114,
    "b": 214.114,
    "c": 116.542,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.2],
    "number_observations_unique": 77889,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 21
      },
      {
        "type": "Completeness",
        "value": 94
      },
      {
        "type": "Redundancy",
        "value": 4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.17],
      "number_observations_unique": 6090,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 74.6
        },
        {
          "type": "Redundancy",
          "value": 4
        }
      ]
    }
  ]

}
  

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


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