Data quality metrics extracted from 3k0a.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": "56f9dc814df7f453a09bb1b4adf71263",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 133.23,
    "b": 134.96,
    "c": 204.88,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.000],
    "number_observations_unique": 62726,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07800
      },
      {
        "type": "I/SigI",
        "value": 10.7000
      },
      {
        "type": "Completeness",
        "value": 84.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.30,3.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08500
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 37.8
        }
      ]
    }
  ]

}
  

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


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