Data quality metrics extracted from 7r0m.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": "20b0974aacd50e4622ca969bb0c3e7ca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.652,
    "b": 39.496,
    "c": 62.362,
    "alpha": 77.24,
    "beta": 80.85,
    "gamma": 77.15
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.41,1.611],
    "number_observations_unique": 23415,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 83.6
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.611],
      "number_observations_unique": 469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.555
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 44.5
        },
        {
          "type": "Redundancy",
          "value": 3.1
        }
      ]
    }
  ]

}
  

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


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