Data quality metrics extracted from 3cg7.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": "6fb4a5c4e695f19c433b2caf3588aeae",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 126.474,
    "b": 165.379,
    "c": 64.263,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99900,0.97899,0.96396,0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.500],
    "number_observations_unique": 45644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05200
      },
      {
        "type": "I/SigI",
        "value": 21.5000
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 4.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42600
        },
        {
          "type": "I/SigI",
          "value": 3.010
        },
        {
          "type": "Completeness",
          "value": 88.6
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    }
  ]

}
  

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


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