Data quality metrics extracted from 5a71.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": "a3fd8bbd82097b8440ea01a879e41092",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.67,
    "b": 48.94,
    "c": 71.61,
    "alpha": 88.74,
    "beta": 97.15,
    "gamma": 108.44
  },
  "wavelengths": [0.82600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.04,0.91],
    "number_observations_unique": 343684,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 13.65
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 17.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.93,0.91],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57
        },
        {
          "type": "I/SigI",
          "value": 1.59
        },
        {
          "type": "Completeness",
          "value": 77.4
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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