Data quality metrics extracted from 7u3y.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": "18c7e382f122e7f18a303d3f60e54a7e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.140,
    "b": 99.588,
    "c": 100.157,
    "alpha": 104.297,
    "beta": 103.013,
    "gamma": 98.105
  },
  "wavelengths": [1.00743],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.388,5.93],
    "number_observations_unique": 3645,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 85.0
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [6.769,5.93],
      "number_observations_unique": 203,
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.014
        }
      ]
    },
    {
      "resolution_limits": [94.388,18.337],
      "number_observations_unique": 203,
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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