Data quality metrics extracted from 4q2a.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": "41ad2ecb0c2a8e554831026ea1b0df4f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.005,
    "b": 58.304,
    "c": 65.043,
    "alpha": 90.00,
    "beta": 91.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91997],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.409,3.5],
    "number_observations_unique": 3290,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.288
      },
      {
        "type": "I/SigI",
        "value": 44.3
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.56,3.5],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.517
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 96.1
        },
        {
          "type": "Redundancy",
          "value": 6.6
        }
      ]
    }
  ]

}
  

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


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