Data quality metrics extracted from 9pj1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "838586901d79a376d71d08470b188873",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 62.72,
    "b": 72.86,
    "c": 85.90,
    "alpha": 90.00,
    "beta": 103.05,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.18,2.05],
    "number_observations_unique": 46596,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.96
      },
      {
        "type": "Completeness",
        "value": 98.14
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.05],
      "number_observations_unique": 4625,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.363
        }
      ]
    }
  ]

}
  

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


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