Data quality metrics extracted from 2x9i.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": "1070c37f8b8f8b19934f06c04afb535f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.92,
    "b": 70.14,
    "c": 81.97,
    "alpha": 109.38,
    "beta": 109.25,
    "gamma": 92.56
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.00,2.20],
    "number_observations_unique": 50826,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 10.56
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "I/SigI",
          "value": 3.73
        },
        {
          "type": "Completeness",
          "value": 96.6
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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