Data quality metrics extracted from 7scf.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": "314816270012e360e22f0d5a451ec2e4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 69.102,
    "b": 71.570,
    "c": 145.095,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.95,2.67],
    "number_observations_unique": 21089,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 10.89
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 1.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.67],
      "number_observations_unique": 2068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.44
        }
      ]
    }
  ]

}
  

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


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