Data quality metrics extracted from 7mgu.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": "738092efa52a38b4a675b27438a711e5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.41,
    "b": 38.99,
    "c": 57.11,
    "alpha": 90.00,
    "beta": 107.64,
    "gamma": 90.00
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.42,1.40],
    "number_observations_unique": 36603,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.07
      },
      {
        "type": "Completeness",
        "value": 99.83
      },
      {
        "type": "Redundancy",
        "value": 6.756
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.44,1.40],
      "number_observations_unique": 2820,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    }
  ]

}
  

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


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