Data quality metrics extracted from 2qq0.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": "a9774927b6f42b3b6310b7c2bd92c9dd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 102.16,
    "b": 59.31,
    "c": 61.30,
    "alpha": 90.00,
    "beta": 103.02,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.0,1.5],
    "number_observations_unique": 54800,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 13
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.6,1.5],
      "number_observations_unique": 8115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 88.4
        },
        {
          "type": "Redundancy",
          "value": 3.45
        }
      ]
    }
  ]

}
  

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


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