Data quality metrics extracted from 2c9j.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": "5a9415957120e09ca3ae604544e43184",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.001,
    "b": 60.108,
    "c": 125.400,
    "alpha": 83.80,
    "beta": 89.98,
    "gamma": 73.85
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,1.350],
    "number_observations_unique": 300980,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 10.4000
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "Redundancy",
        "value": 1.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22000
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 80.0
        },
        {
          "type": "Redundancy",
          "value": 1.10
        }
      ]
    }
  ]

}
  

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


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