Data quality metrics extracted from 8qdh.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": "f3b7e4c63f084c2d0ccea3d201350909",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.714,
    "b": 53.691,
    "c": 98.981,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.49,1.72],
    "number_observations": 329575,
    "number_observations_unique": 25538,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "R(meas)",
        "value": 0.086
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.72],
      "number_observations": 17356,
      "number_observations_unique": 1311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.034
        },
        {
          "type": "R(meas)",
          "value": 2.116
        },
        {
          "type": "R(pim)",
          "value": 0.576
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 13.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    }
  ]

}
  

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


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