Data quality metrics extracted from 2cjf.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": "653bdb882ff7791d399018b1aef51b60",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 195.755,
    "b": 195.730,
    "c": 239.680,
    "alpha": 65.84,
    "beta": 65.89,
    "gamma": 89.97
  },
  "wavelengths": [0.93928],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.000,2.200],
    "number_observations_unique": 1334888,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11000
      },
      {
        "type": "I/SigI",
        "value": 7.1000
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 1.880
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69000
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 78.2
        },
        {
          "type": "Redundancy",
          "value": 1.82
        }
      ]
    }
  ]

}
  

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


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