Data quality metrics extracted from 8bqp.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": "3884c72c27b23107b5ecf36f57cfd5ee",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 76.388,
    "b": 76.388,
    "c": 36.981,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.19,1.24],
    "number_observations": 768146,
    "number_observations_unique": 31633,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.061
      },
      {
        "type": "R(pim)",
        "value": 0.012
      },
      {
        "type": "I/SigI",
        "value": 28.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 24.3
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.24],
      "number_observations": 36443,
      "number_observations_unique": 1519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.781
        },
        {
          "type": "R(meas)",
          "value": 0.798
        },
        {
          "type": "R(pim)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Redundancy",
          "value": 24.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    }
  ]

}
  

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


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