Data quality metrics extracted from 8x7h.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": "8f7ecca24f188e79367e40c9d6a74923",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.855,
    "b": 87.613,
    "c": 88.440,
    "alpha": 103.09,
    "beta": 90.90,
    "gamma": 106.23
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.81,2.9],
    "number_observations_unique": 34488,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 9.97
      },
      {
        "type": "Completeness",
        "value": 97.07
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.01,2.90],
      "number_observations_unique": 3438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.528
        }
      ]
    }
  ]

}
  

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


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