Data quality metrics extracted from 6r9h.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": "17c0e74eee43fce5ae4cc976cd406511",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 28.937,
    "b": 56.185,
    "c": 100.874,
    "alpha": 82.59,
    "beta": 84.21,
    "gamma": 78.59
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.91,2.0],
    "number_observations_unique": 40550,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08739
      },
      {
        "type": "R(meas)",
        "value": 0.1036
      },
      {
        "type": "R(pim)",
        "value": 0.05496
      },
      {
        "type": "I/SigI",
        "value": 7.57
      },
      {
        "type": "Completeness",
        "value": 97.37
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,2.072],
      "number_observations_unique": 4087,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.689
        },
        {
          "type": "R(meas)",
          "value": 0.8104
        },
        {
          "type": "R(pim)",
          "value": 0.4229
        },
        {
          "type": "I/SigI",
          "value": 1.53
        },
        {
          "type": "Completeness",
          "value": 96.80
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.761
        }
      ]
    }
  ]

}
  

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


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