Data quality metrics extracted from 9cj2.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": "60245f7e471060f7473a73696a7fd111",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 45.595,
    "b": 96.296,
    "c": 220.185,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03096],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.15,2.82],
    "number_observations_unique": 26902,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "R(meas)",
        "value": 0.151
      },
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 7.8
      },
      {
        "type": "Completeness",
        "value": 99.59
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.82],
      "number_observations_unique": 2606,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 98.04
        },
        {
          "type": "Redundancy",
          "value": 6
        },
        {
          "type": "CC(1/2)",
          "value": 0.29
        }
      ]
    }
  ]

}
  

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


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