Data quality metrics extracted from 6s7g.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": "a3848b9a20e9c2e94317994c9d9d6f38",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 123.230,
    "b": 56.742,
    "c": 70.622,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.428,1.841],
    "number_observations_unique": 82590,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.286
      },
      {
        "type": "I/SigI",
        "value": 4.69
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.850,1.841],
      "number_observations_unique": 13122,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.58
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.29
        }
      ]
    }
  ]

}
  

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


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