Data quality metrics extracted from 4gnv.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": "dd52ae482c320fc9f6f020d1313876eb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.97,
    "b": 89.31,
    "c": 67.15,
    "alpha": 90.00,
    "beta": 91.73,
    "gamma": 90.00
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.12,1.50],
    "number_observations_unique": 85727,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0410
      },
      {
        "type": "I/SigI",
        "value": 28.22
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 6.11
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.539,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 4.57
        },
        {
          "type": "Completeness",
          "value": 84.57
        }
      ]
    }
  ]

}
  

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


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