Data quality metrics extracted from 6o9f.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": "52bcd36599a350c90aa8a81bc6cc9f9a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 78.185,
    "b": 91.366,
    "c": 124.316,
    "alpha": 90.000,
    "beta": 94.705,
    "gamma": 90.000
  },
  "wavelengths": [1.54190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.0,2.48],
    "number_observations_unique": 81074,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.292
      },
      {
        "type": "R(meas)",
        "value": 0.327
      },
      {
        "type": "R(pim)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 9.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.52,2.48],
      "number_observations_unique": 4362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.02
        },
        {
          "type": "R(meas)",
          "value": 1.30
        },
        {
          "type": "R(pim)",
          "value": 0.623
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 96.2
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.18
        }
      ]
    }
  ]

}
  

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


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