Data quality metrics extracted from 4qnm.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": "2f2fd7f85b3eb6332437b3c0200eec1b",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 113.721,
    "b": 113.721,
    "c": 39.453,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.43,1.628],
    "number_observations_unique": 36572,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05594
      },
      {
        "type": "I/SigI",
        "value": 21.10
      },
      {
        "type": "Completeness",
        "value": 99.35
      },
      {
        "type": "Redundancy",
        "value": 8.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.686,1.628],
      "number_observations_unique": 3380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8913
        },
        {
          "type": "I/SigI",
          "value": 2.08
        },
        {
          "type": "Redundancy",
          "value": 7.9
        }
      ]
    }
  ]

}
  

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


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