Data quality metrics extracted from 5o7s.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": "5d88e065a5329f3b6be5c856ff057d6a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.25,
    "b": 37.43,
    "c": 45.74,
    "alpha": 93.67,
    "beta": 112.64,
    "gamma": 115.12
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.02],
    "number_observations_unique": 12323,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "I/SigI",
        "value": 8.27
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 5.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.02],
      "number_observations_unique": 934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.637
        },
        {
          "type": "I/SigI",
          "value": 2.33
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.733
        }
      ]
    }
  ]

}
  

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


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