Data quality metrics extracted from 7ldq.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": "70ea14bc9ab51ce1648e97bc68c844aa",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 53.100,
    "b": 84.838,
    "c": 53.977,
    "alpha": 90.000,
    "beta": 115.831,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.15],
    "number_observations_unique": 74481,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 18.8
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.15],
      "number_observations_unique": 3643,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.811
        }
      ]
    }
  ]

}
  

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


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