Data quality metrics extracted from 3m5o.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": "9a8dc86762c8c88ef600f3793f18456c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.272,
    "b": 58.885,
    "c": 67.058,
    "alpha": 90.00,
    "beta": 99.22,
    "gamma": 90.00
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.600],
    "number_observations_unique": 45685,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0740
      },
      {
        "type": "I/SigI",
        "value": 17.400
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.600],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 13.303
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.300
        }
      ]
    }
  ]

}
  

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


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