Data quality metrics extracted from 9br6.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": "1296d2b383b00d2c8b190c2bd230a951",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 91.083,
    "b": 115.126,
    "c": 79.220,
    "alpha": 90.00,
    "beta": 100.79,
    "gamma": 90.00
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.84,2.40],
    "number_observations": 110121,
    "number_observations_unique": 31313,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.110
      },
      {
        "type": "R(meas)",
        "value": 0.130
      },
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.40],
      "number_observations": 10391,
      "number_observations_unique": 3265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.593
        },
        {
          "type": "R(meas)",
          "value": 1.925
        },
        {
          "type": "R(pim)",
          "value": 1.069
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.406
        }
      ]
    }
  ]

}
  

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


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