Data quality metrics extracted from 3mjt.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": "8bfeb937ecd99bd7a36a4e92babc5a6e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.399,
    "b": 63.607,
    "c": 71.846,
    "alpha": 72.84,
    "beta": 67.20,
    "gamma": 89.77
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.790,1.600],
    "number_observations_unique": 118288,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10500
      },
      {
        "type": "I/SigI",
        "value": 18.7000
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53000
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 93.0
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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