Data quality metrics extracted from 7crl.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "e43fa9dd36e6c57cfb565d77a7b0b1d8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 103.37,
    "b": 50.09,
    "c": 69.39,
    "alpha": 90.00,
    "beta": 109.69,
    "gamma": 90.00
  },
  "wavelengths": [1.30000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.9,1.77],
    "number_observations_unique": 33081,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.86
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 290
      },
      {
        "type": "CC(1/2)",
        "value": 0.9767
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.77],
      "number_observations_unique": 1709,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 62.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.7324
        }
      ]
    }
  ]

}
  

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


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