Data quality metrics extracted from 9snl.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": "ee7da8e359ebe7dea8d578449f5b7525",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.01,
    "b": 65.25,
    "c": 66.76,
    "alpha": 90.000,
    "beta": 107.545,
    "gamma": 90.000
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.57,2.701],
    "number_observations_unique": 9547,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.89
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.77,2.701],
      "number_observations_unique": 1367,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    }
  ]

}
  

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


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