Data quality metrics extracted from 2qpq.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": "8f99a6d25f8feed41667616e7171e115",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.39,
    "b": 82.31,
    "c": 87.47,
    "alpha": 90.00,
    "beta": 95.35,
    "gamma": 90.00
  },
  "wavelengths": [0.93300,0.97900,0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [6.56,1.90],
    "number_observations_unique": 78417,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 0.1484
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.89
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "I/SigI",
          "value": 4.64
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    }
  ]

}
  

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


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