Data quality metrics extracted from 3e7r.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": "36730b616fd689b7b1f923d2060b7bde",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 23.581,
    "b": 23.812,
    "c": 24.492,
    "alpha": 109.65,
    "beta": 94.95,
    "gamma": 97.69
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.000],
    "number_observations_unique": 22253,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06800
      },
      {
        "type": "I/SigI",
        "value": 12.0
      },
      {
        "type": "Completeness",
        "value": 83.2
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.04,1.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21200
        },
        {
          "type": "I/SigI",
          "value": 4.800
        },
        {
          "type": "Completeness",
          "value": 32.0
        },
        {
          "type": "Redundancy",
          "value": 2.20
        }
      ]
    }
  ]

}
  

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


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