Data quality metrics extracted from 6o9e.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": "4a734e298fc35fb22284ccac6ceea99f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.762,
    "b": 127.663,
    "c": 131.610,
    "alpha": 90.0,
    "beta": 101.5,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.40],
    "number_observations_unique": 113545,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.162
      },
      {
        "type": "R(meas)",
        "value": 0.171
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 19.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "number_observations_unique": 5622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.118
        },
        {
          "type": "R(meas)",
          "value": 6.450
        },
        {
          "type": "R(pim)",
          "value": 2.035
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 19.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.311
        }
      ]
    }
  ]

}
  

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


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