Data quality metrics extracted from 7zig.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": "f7d96c6e83d610f7387080e9e528dd8b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.411,
    "b": 57.899,
    "c": 59.387,
    "alpha": 90.000,
    "beta": 98.128,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.94,1.80888497598],
    "number_observations_unique": 29078,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0770
      },
      {
        "type": "I/SigI",
        "value": 11.23
      },
      {
        "type": "Completeness",
        "value": 99.55
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.81],
      "number_observations_unique": 2828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6311
        }
      ]
    }
  ]

}
  

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


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