Data quality metrics extracted from 3feq.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": "af0502413db979739088aa4fd8030d9a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 113.208,
    "b": 108.048,
    "c": 171.132,
    "alpha": 81.75,
    "beta": 80.36,
    "gamma": 74.40
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.610],
    "number_observations_unique": 227280,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.20600
      },
      {
        "type": "I/SigI",
        "value": 3.2000
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 3.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.70,2.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.76000
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 2.80
        }
      ]
    }
  ]

}
  

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


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