Data quality metrics extracted from 2vjq.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": "4a1ed79a1b409df344bbd5e210cbafe4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 214.155,
    "b": 98.917,
    "c": 152.527,
    "alpha": 90.00,
    "beta": 135.27,
    "gamma": 90.00
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.08,1.80],
    "number_observations_unique": 190053,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 12.40
      },
      {
        "type": "Completeness",
        "value": 92.0
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.41
        },
        {
          "type": "I/SigI",
          "value": 2.30
        },
        {
          "type": "Completeness",
          "value": 68.7
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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