Data quality metrics extracted from 6v3z.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": "b0ebb0b7186d0d847c439e8e27ccb5fc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.374,
    "b": 49.371,
    "c": 58.639,
    "alpha": 91.41,
    "beta": 107.55,
    "gamma": 93.61
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.2700,1.900],
    "number_observations_unique": 26682,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 11.25
      },
      {
        "type": "Completeness",
        "value": 89.85
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.972,1.904],
      "number_observations_unique": 2484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.572
        },
        {
          "type": "CC(1/2)",
          "value": 0.376
        }
      ]
    }
  ]

}
  

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


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