Data quality metrics extracted from 8beb.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": "f0b1ac1edee9daa62da90662a07e79a4",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 79.754,
    "b": 79.754,
    "c": 184.930,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97626],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.7,3.180],
    "number_observations_unique": 9832,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.353
      },
      {
        "type": "R(meas)",
        "value": 0.363
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 9.400
      },
      {
        "type": "Completeness",
        "value": 85.400
      },
      {
        "type": "Redundancy",
        "value": 18.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.346,3.180],
      "number_observations_unique": 493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.206
        },
        {
          "type": "R(meas)",
          "value": 2.261
        },
        {
          "type": "R(pim)",
          "value": 0.492
        },
        {
          "type": "Completeness",
          "value": 41.200
        },
        {
          "type": "Redundancy",
          "value": 20.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.512
        }
      ]
    }
  ]

}
  

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


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