Data quality metrics extracted from 7brn.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": "c22c9ab7729b1aad1c2635c936bb86b5",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 74.729,
    "b": 74.729,
    "c": 57.092,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.8130,2.231],
    "number_observations_unique": 9229,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1460
      },
      {
        "type": "R(meas)",
        "value": 0.1486
      },
      {
        "type": "R(pim)",
        "value": 0.04754
      },
      {
        "type": "I/SigI",
        "value": 13.78
      },
      {
        "type": "Completeness",
        "value": 99.6000
      },
      {
        "type": "Redundancy",
        "value": 9.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.311,2.231],
      "number_observations_unique": 900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5954
        },
        {
          "type": "R(meas)",
          "value": 0.6415
        },
        {
          "type": "R(pim)",
          "value": 0.2354
        },
        {
          "type": "I/SigI",
          "value": 2.44
        },
        {
          "type": "Completeness",
          "value": 97.91
        },
        {
          "type": "Redundancy",
          "value": 7.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    }
  ]

}
  

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


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