Data quality metrics extracted from 9ltg.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": "eacfa5e5e708132135970a19c1df8764",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.552,
    "b": 79.898,
    "c": 97.958,
    "alpha": 78.004,
    "beta": 71.237,
    "gamma": 76.285
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.80,2.53],
    "number_observations_unique": 55839,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.8
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.60,2.53],
      "number_observations_unique": 55838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "CC(1/2)",
          "value": 0.865
        }
      ]
    }
  ]

}
  

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


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