Data quality metrics extracted from 2qo8.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": "f9aa55d0a8a14e4870d5ec88d394ca5a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.154,
    "b": 41.426,
    "c": 71.765,
    "alpha": 90.00,
    "beta": 104.22,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.400],
    "number_observations_unique": 46329,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05900
      },
      {
        "type": "I/SigI",
        "value": 17.4000
      },
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.30800
        },
        {
          "type": "I/SigI",
          "value": 3.100
        },
        {
          "type": "Completeness",
          "value": 91.6
        }
      ]
    }
  ]

}
  

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


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