Data quality metrics extracted from 9smv.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": "d3556926cdad5476a152dce441fe109c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.494,
    "b": 51.558,
    "c": 72.721,
    "alpha": 90.473,
    "beta": 90.570,
    "gamma": 102.358
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.643,1.60],
    "number_observations_unique": 91656,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "number_observations_unique": 4459,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        },
        {
          "type": "CC(1/2)",
          "value": 0.51
        }
      ]
    }
  ]

}
  

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


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