Data quality metrics extracted from 7krg.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": "14935357c685f68d1e7aa0177e47fcec",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 88.867,
    "b": 119.322,
    "c": 111.211,
    "alpha": 90.000,
    "beta": 94.884,
    "gamma": 90.000
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.0379],
    "number_observations_unique": 141106,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "I/SigI",
        "value": 16.6
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 2.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.0379],
      "number_observations_unique": 7165,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.656
        }
      ]
    }
  ]

}
  

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


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