Data quality metrics extracted from 1x82.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": "267c9159bebe5b0566cea44b7fd2901d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 84.506,
    "b": 42.730,
    "c": 57.308,
    "alpha": 90.00,
    "beta": 120.32,
    "gamma": 90.00
  },
  "wavelengths": [0.89843],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.0,1.50],
    "number_observations_unique": 26896,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 30.0
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "number_observations_unique": 1731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 90.6
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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