Data quality metrics extracted from 8x70.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": "5e4c1ea3a43119aedce530a7ef4ad3ae",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.400,
    "b": 87.418,
    "c": 111.214,
    "alpha": 90.000,
    "beta": 99.274,
    "gamma": 90.000
  },
  "wavelengths": [1.18075],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.523,1.70],
    "number_observations_unique": 83684,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 4406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.798
        }
      ]
    }
  ]

}
  

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


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