Data quality metrics extracted from 7kpj.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": "8402f6e61845fdc6842bf4880f63babc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 85.240,
    "b": 102.191,
    "c": 118.280,
    "alpha": 90.00,
    "beta": 102.05,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.3600,2.10],
    "number_observations_unique": 115284,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.03
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 33.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.177,2.1],
      "number_observations_unique": 11391,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.16
        },
        {
          "type": "Redundancy",
          "value": 32.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.307
        }
      ]
    }
  ]

}
  

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


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