Data quality metrics extracted from 9g86.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": "d3a42521624467578e12cbe39eebb0e3",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 132.571,
    "b": 132.571,
    "c": 508.411,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.96,3.00],
    "number_observations": 1825849,
    "number_observations_unique": 54311,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.361
      },
      {
        "type": "R(meas)",
        "value": 0.366
      },
      {
        "type": "R(pim)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 33.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.09,3.00],
      "number_observations": 141102,
      "number_observations_unique": 4359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.305
        },
        {
          "type": "R(meas)",
          "value": 3.356
        },
        {
          "type": "R(pim)",
          "value": 0.580
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 32.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.470
        }
      ]
    }
  ]

}
  

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


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