Data quality metrics extracted from 7x7l.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": "2aec1a18a145e4f75bfe81ce1fcb8f90",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.952,
    "b": 83.428,
    "c": 85.610,
    "alpha": 89.78,
    "beta": 97.46,
    "gamma": 107.64
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.887],
    "number_observations_unique": 109886,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 4.80
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.887],
      "number_observations_unique": 8132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    }
  ]

}
  

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


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