Data quality metrics extracted from 3x40.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": "50189b696188928c7e7a13ab56864d1f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 191.812,
    "b": 63.020,
    "c": 158.108,
    "alpha": 90.00,
    "beta": 117.29,
    "gamma": 90.00
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.528,1.800],
    "number_observations_unique": 142096,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11200
      },
      {
        "type": "I/SigI",
        "value": 10.1000
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38200
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    }
  ]

}
  

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


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