Data quality metrics extracted from 1m3d.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": "572bfa6a64e35f4eccf01a4311f3b9e4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.069,
    "b": 137.963,
    "c": 127.131,
    "alpha": 90.00,
    "beta": 90.31,
    "gamma": 90.00
  },
  "wavelengths": [0.88560,0.91950,0.91970,0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.25,2.0],
    "number_observations_unique": 184445,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 30.5
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.72
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "number_observations_unique": 16498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 13.1
        },
        {
          "type": "Completeness",
          "value": 87.8
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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