Data quality metrics extracted from 7rsw.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": "80e67adb4755e778e464f606d8827907",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.277,
    "b": 116.257,
    "c": 31.312,
    "alpha": 90.000,
    "beta": 103.537,
    "gamma": 90.000
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.41,1.32],
    "number_observations_unique": 41757,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 19.03
      },
      {
        "type": "Completeness",
        "value": 82.69
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.34,1.32],
      "number_observations_unique": 1675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "I/SigI",
          "value": 2.31
        }
      ]
    }
  ]

}
  

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


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