Data quality metrics extracted from 5xb2.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": "164769982fd0cdc8770a2d7eef0a06ea",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.620,
    "b": 52.990,
    "c": 54.019,
    "alpha": 88.90,
    "beta": 90.83,
    "gamma": 70.53
  },
  "wavelengths": [0.97372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.00,2.16],
    "number_observations_unique": 23220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.944
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.16],
      "number_observations_unique": 3080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 88.9
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.64
        }
      ]
    }
  ]

}
  

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


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