Data quality metrics extracted from 3vq9.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": "d2ecac4764b34f411d15b3270c111f5e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.327,
    "b": 72.909,
    "c": 79.851,
    "alpha": 90.0,
    "beta": 108.6,
    "gamma": 90.0
  },
  "wavelengths": [0.94937],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.6,1.9],
    "number_observations_unique": 42469,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 17.5
      },
      {
        "type": "Completeness",
        "value": 99.52
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,1.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    }
  ]

}
  

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


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