Data quality metrics extracted from 3mjv.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": "d05c30aafad7654e604ba168680e5daf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.502,
    "b": 63.691,
    "c": 71.920,
    "alpha": 72.93,
    "beta": 67.21,
    "gamma": 89.76
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.890,1.460],
    "number_observations_unique": 137417,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05400
      },
      {
        "type": "I/SigI",
        "value": 19.9000
      },
      {
        "type": "Completeness",
        "value": 83.2
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.46],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53200
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 91.9
        },
        {
          "type": "Redundancy",
          "value": 2.00
        }
      ]
    }
  ]

}
  

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


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