Data quality metrics extracted from 3mj1.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": "7804ffc3cd8220a5d5e76783514e3723",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 121.500,
    "b": 39.253,
    "c": 50.584,
    "alpha": 90.0,
    "beta": 93.1,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,1.72],
    "number_observations_unique": 20696,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 18.3
      },
      {
        "type": "Completeness",
        "value": 89.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.72],
      "number_observations_unique": 1389,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 55.0
        }
      ]
    }
  ]

}
  

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


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