Data quality metrics extracted from 1zff.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": "48200da6d6913d3a10fe789f3e679f6c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 34.292,
    "b": 20.318,
    "c": 33.482,
    "alpha": 90.0,
    "beta": 112.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [7.90,0.940],
    "number_observations_unique": 11437,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 11.2000
      },
      {
        "type": "Completeness",
        "value": 81.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.97,0.94],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 41.6
        }
      ]
    }
  ]

}
  

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


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