Data quality metrics extracted from 1w3u.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": "98513f9f55d63d9626ab5be61eb1f2f3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 91.287,
    "b": 91.109,
    "c": 42.374,
    "alpha": 90.00,
    "beta": 111.25,
    "gamma": 90.00
  },
  "wavelengths": [0.80150],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,1.500],
    "number_observations_unique": 49679,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03000
      },
      {
        "type": "I/SigI",
        "value": 20.0000
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 7.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20000
        },
        {
          "type": "I/SigI",
          "value": 3.800
        },
        {
          "type": "Completeness",
          "value": 91.0
        }
      ]
    }
  ]

}
  

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


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