Data quality metrics extracted from 7be8.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": "0c7c3bb6aeb48a51f6526666aedaa15b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.145,
    "b": 50.119,
    "c": 88.238,
    "alpha": 90.000,
    "beta": 100.298,
    "gamma": 90.000
  },
  "wavelengths": [1.89175],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.552,2.499],
    "number_observations_unique": 17917,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(meas)",
        "value": 0.098
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.542,2.499],
      "number_observations_unique": 864,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    }
  ]

}
  

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


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