Data quality metrics extracted from 4d9l.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": "b08758728fec3c3d463689865dc8c4d4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.322,
    "b": 82.460,
    "c": 93.212,
    "alpha": 82.12,
    "beta": 70.41,
    "gamma": 86.27
  },
  "wavelengths": [1.03330],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.267,2.485],
    "number_observations_unique": 65386,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.485],
      "number_observations_unique": 3182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.608
        },
        {
          "type": "Completeness",
          "value": 95.2
        },
        {
          "type": "Redundancy",
          "value": 2.7
        }
      ]
    }
  ]

}
  

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


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