Data quality metrics extracted from 9de1.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": "4d0073394f3134129295c4115f8c8bfc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.032,
    "b": 35.790,
    "c": 63.770,
    "alpha": 85.897,
    "beta": 85.870,
    "gamma": 65.291
  },
  "wavelengths": [1.12100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.48,1.40],
    "number_observations_unique": 46852,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 32.23
      },
      {
        "type": "Completeness",
        "value": 95.63
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations_unique": 4549,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.452
        },
        {
          "type": "R(pim)",
          "value": 0.053
        }
      ]
    }
  ]

}
  

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


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