Data quality metrics extracted from 5mhr.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": "ab450fcf8c80e35c581ce373708895ce",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 103.163,
    "b": 109.306,
    "c": 131.699,
    "alpha": 103.13,
    "beta": 113.56,
    "gamma": 103.48
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.045,3.000],
    "number_observations_unique": 94667,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.0800
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,3.00],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.890
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    }
  ]

}
  

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


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