Data quality metrics extracted from 9ipr.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": "a95bbd77265dda40bf920d499bdc82dc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.080,
    "b": 88.114,
    "c": 87.597,
    "alpha": 90.00,
    "beta": 116.66,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.26,1.94],
    "number_observations_unique": 82804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07234
      },
      {
        "type": "R(meas)",
        "value": 0.07953
      },
      {
        "type": "R(pim)",
        "value": 0.03242
      },
      {
        "type": "I/SigI",
        "value": 12.62
      },
      {
        "type": "Completeness",
        "value": 98.96
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.009,1.94],
      "number_observations_unique": 7618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3871
        },
        {
          "type": "R(meas)",
          "value": 0.4545
        },
        {
          "type": "R(pim)",
          "value": 0.2303
        },
        {
          "type": "I/SigI",
          "value": 3.06
        },
        {
          "type": "Completeness",
          "value": 91.72
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    }
  ]

}
  

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


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