Data quality metrics extracted from 1u9a.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": "5352e269808a78bf33b4ac15b51a6cf4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.04,
    "b": 35.18,
    "c": 58.10,
    "alpha": 90.0,
    "beta": 111.2,
    "gamma": 90.0
  },
  "wavelengths": [0.88500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.0],
    "number_observations_unique": 12295,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1200000
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 91.0
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4200000
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
        "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 6.1
        }
      ]
    }
  ]

}
  

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


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