Data quality metrics extracted from 5o6s.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": "0932355d624ce3ee1c4d5afc79536c95",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 48.213,
    "b": 71.669,
    "c": 118.033,
    "alpha": 90.00,
    "beta": 94.97,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.79,2.9],
    "number_observations_unique": 8941,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(pim)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,2.9],
      "number_observations_unique": 1423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.523
        },
        {
          "type": "R(pim)",
          "value": 0.513
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    }
  ]

}
  

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


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