Data quality metrics extracted from 7ugw.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": "0cca8340c3206408f5bc3fa9f571d0e4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.075,
    "b": 105.088,
    "c": 250.183,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.46,3.0],
    "number_observations_unique": 44612,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1395
      },
      {
        "type": "R(meas)",
        "value": 0.1549
      },
      {
        "type": "R(pim)",
        "value": 0.06624
      },
      {
        "type": "I/SigI",
        "value": 10.44
      },
      {
        "type": "Completeness",
        "value": 99.64
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3.0],
      "number_observations_unique": 4388,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.822
        }
      ]
    }
  ]

}
  

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


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