Data quality metrics extracted from 3cw1.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": "89d4764f7b3c10edcf1c383176e3af46",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 126.471,
    "b": 127.075,
    "c": 152.024,
    "alpha": 95.42,
    "beta": 105.92,
    "gamma": 101.80
  },
  "wavelengths": [1.25570,1.25110,0.97970,1.28270,0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [123.091,5.493],
    "number_observations_unique": 28397,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 7.900
      }
    ]
  }
}
  

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


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