Data quality metrics extracted from 8bwa.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": "951c733841e2f96daefad482ff84fec7",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 98.43,
    "b": 98.43,
    "c": 188.16,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.72,3.61],
    "number_observations_unique": 6653,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.143
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 13.6
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 25.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.67,3.61],
      "number_observations_unique": 319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.612
        },
        {
          "type": "R(meas)",
          "value": 7.767
        },
        {
          "type": "R(pim)",
          "value": 1.524
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 25.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.247
        }
      ]
    }
  ]

}
  

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


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