Data quality metrics extracted from 1qjv.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": "5c1bda87ceb9a2328a59a2c26ad65229",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.694,
    "b": 85.507,
    "c": 96.690,
    "alpha": 90.00,
    "beta": 93.69,
    "gamma": 90.00
  },
  "wavelengths": [0.90580],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.400],
    "number_observations_unique": 32934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06400
      },
      {
        "type": "I/SigI",
        "value": 13.4300
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 4.040
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21700
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 82.3
        },
        {
          "type": "Redundancy",
          "value": 3.04
        }
      ]
    }
  ]

}
  

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


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