Data quality metrics extracted from 9ltb.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": "b08ba9e14c901c557c7a1d2f9927c8f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.02,
    "b": 65.50,
    "c": 81.93,
    "alpha": 104.46,
    "beta": 107.61,
    "gamma": 92.79
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.24,1.49],
    "number_observations_unique": 146240,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.35
      },
      {
        "type": "Completeness",
        "value": 94.47
      },
      {
        "type": "Redundancy",
        "value": 3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.545,1.492],
      "number_observations_unique": 13485,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "Completeness",
          "value": 86.90
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.442
        }
      ]
    }
  ]

}
  

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


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