Data quality metrics extracted from 3m6a.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": "4a5b53894fe14318119c29ac7cc35476",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 103.382,
    "b": 127.400,
    "c": 148.993,
    "alpha": 90.0,
    "beta": 100.5,
    "gamma": 90.0
  },
  "wavelengths": [0.95370,1.25460],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.42,3.4],
    "number_observations_unique": 52431,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 8
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.58,3.4],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.578
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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