Data quality metrics extracted from 7lon.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": "7a849d7bcb4b9d9fa1ca889a753fd775",
  "space_group_name": "P 31 1 2",
  "unit_cell": {
    "a": 192.024,
    "b": 192.024,
    "c": 57.058,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.12700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.050,1.943],
    "number_observations_unique": 87426,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 8.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.977,1.943],
      "number_observations_unique": 4085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.599
        },
        {
          "type": "R(pim)",
          "value": 0.925
        },
        {
          "type": "Completeness",
          "value": 93.0
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    }
  ]

}
  

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


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