Data quality metrics extracted from 7qb1.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": "c6f56c8a26a081c60a57ff40f7c767d6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 93.368,
    "b": 60.664,
    "c": 118.254,
    "alpha": 90.000,
    "beta": 102.934,
    "gamma": 90.000
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.15],
    "number_observations_unique": 34961,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 16.20
      },
      {
        "type": "Completeness",
        "value": 99.20
      },
      {
        "type": "Redundancy",
        "value": 3.40
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.15],
      "number_observations_unique": 4068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.67
        }
      ]
    }
  ]

}
  

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


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