Data quality metrics extracted from 6bh8.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": "06fbae064223db39794ad5d0510a7cec",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 93.329,
    "b": 84.661,
    "c": 132.017,
    "alpha": 90.00,
    "beta": 96.26,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.030,3.85],
    "number_observations_unique": 19383,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.5105
      },
      {
        "type": "R(meas)",
        "value": 0.6127
      },
      {
        "type": "R(pim)",
        "value": 0.3347
      },
      {
        "type": "I/SigI",
        "value": 2.21
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.761
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.99,3.85],
      "number_observations_unique": 187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.291
        },
        {
          "type": "R(meas)",
          "value": 2.729
        },
        {
          "type": "R(pim)",
          "value": 1.468
        },
        {
          "type": "I/SigI",
          "value": 0.54
        },
        {
          "type": "Completeness",
          "value": 97.38
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    }
  ]

}
  

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


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