Data quality metrics extracted from 3gvd.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": "91ae000e8493a5e21d82552b2980bd5c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.472,
    "b": 81.228,
    "c": 139.406,
    "alpha": 97.07,
    "beta": 95.32,
    "gamma": 94.72
  },
  "wavelengths": [0.97937],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.17,2.4],
    "number_observations_unique": 112894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 96.7
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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