Data quality metrics extracted from 5mbq.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": "7816290e88efc5fcf35fbb4588a39acc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.988,
    "b": 62.682,
    "c": 67.969,
    "alpha": 82.11,
    "beta": 77.21,
    "gamma": 76.28
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.02,1.33],
    "number_observations_unique": 192548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0044
      },
      {
        "type": "I/SigI",
        "value": 11.8
      },
      {
        "type": "Completeness",
        "value": 65.9
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.35,1.33],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.729
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 41.0
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    }
  ]

}
  

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


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