Data quality metrics extracted from 8r9r.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": "797abd1ae5abcbe4b5eeb54a9f5a1d31",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 73.92,
    "b": 73.92,
    "c": 159.96,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.97,2.42],
    "number_observations_unique": 100474,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1142
      },
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "R(pim)",
        "value": 0.01971
      },
      {
        "type": "I/SigI",
        "value": 21.75
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 35.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.507,2.42],
      "number_observations_unique": 1001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.228
        },
        {
          "type": "R(meas)",
          "value": 2.258
        },
        {
          "type": "R(pim)",
          "value": 0.3613
        },
        {
          "type": "CC(1/2)",
          "value": 0.754
        }
      ]
    }
  ]

}
  

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


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