Data quality metrics extracted from 9i0u.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": "d6b93ccdee5c1a006b3fe883057da4c9",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 51.997,
    "b": 52.405,
    "c": 112.022,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03322],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.47,1.46],
    "number_observations_unique": 53362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 21
      },
      {
        "type": "Completeness",
        "value": 98.90
      },
      {
        "type": "Redundancy",
        "value": 12.50
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.46],
      "number_observations_unique": 2338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.68
        }
      ]
    }
  ]

}
  

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


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