Data quality metrics extracted from 9tlt.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": "6ab19e9d76271f841f641e34b4c4cf32",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.834,
    "b": 53.711,
    "c": 73.656,
    "alpha": 74.218,
    "beta": 72.058,
    "gamma": 65.315
  },
  "wavelengths": [0.62000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.74,1.95],
    "number_observations_unique": 45552,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 18.28
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 4529,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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