Data quality metrics extracted from 6bhz.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": "64b5e029a8589dff63b722c0875301cc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.571,
    "b": 79.506,
    "c": 85.591,
    "alpha": 113.18,
    "beta": 93.19,
    "gamma": 102.52
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.75],
    "number_observations_unique": 88658,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "R(meas)",
        "value": 0.051
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 21.5
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.75],
      "number_observations_unique": 5727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34
        },
        {
          "type": "R(meas)",
          "value": 0.446
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    }
  ]

}
  

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


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