Data quality metrics extracted from 3zwv.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": "e315009339d2e5c1729d393c643ea2e0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.146,
    "b": 76.481,
    "c": 141.366,
    "alpha": 88.09,
    "beta": 90.88,
    "gamma": 91.02
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.300],
    "number_observations_unique": 100035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 17.00
      },
      {
        "type": "Completeness",
        "value": 87.1
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 1.90
        },
        {
          "type": "Completeness",
          "value": 70.1
        }
      ]
    }
  ]

}
  

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


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