Data quality metrics extracted from 7w6y.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": "ecd46ad927e1b46b3b5e59d05bc5b62e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.56,
    "b": 49.78,
    "c": 76.08,
    "alpha": 86.897,
    "beta": 79.181,
    "gamma": 82.189
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.30,3.10],
    "number_observations_unique": 22986,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 20.0
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 135.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.10],
      "number_observations_unique": 1130,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 1.601
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.821
        }
      ]
    }
  ]

}
  

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


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