Data quality metrics extracted from 5n09.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": "cf2c1e4c1a486cc2563b873bc6a2d766",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 58.902,
    "b": 180.598,
    "c": 205.043,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,3.90],
    "number_observations_unique": 19970,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.686
      },
      {
        "type": "R(pim)",
        "value": 0.354
      },
      {
        "type": "I/SigI",
        "value": 2.4
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.891
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.27,3.90],
      "number_observations_unique": 23344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.965
        },
        {
          "type": "R(pim)",
          "value": 1.044
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.508
        }
      ]
    }
  ]

}
  

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


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