Data quality metrics extracted from 6xb3.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": "c6d166e67736318d23b50a45c244ecdc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 127.234,
    "b": 127.192,
    "c": 127.151,
    "alpha": 124.813,
    "beta": 102.390,
    "gamma": 102.385
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.31,1.90],
    "number_observations_unique": 422103,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 19.5
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "number_observations_unique": 20247,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.581
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.623
        }
      ]
    }
  ]

}
  

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


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