Data quality metrics extracted from 7dp3.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": "48b64ae4e83645f00ddff0d01928bbf0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.017,
    "b": 52.028,
    "c": 137.221,
    "alpha": 90.000,
    "beta": 91.864,
    "gamma": 90.000
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.55],
    "number_observations_unique": 21244,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 10.79
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.55],
      "number_observations_unique": 1009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.684
        },
        {
          "type": "R(pim)",
          "value": 0.333
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 4.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    }
  ]

}
  

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


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