Data quality metrics extracted from 8fmm.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": "44243f86470a085b6a3693ef35c363a1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.071,
    "b": 168.219,
    "c": 69.683,
    "alpha": 90.0,
    "beta": 101.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97973],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.11],
    "number_observations_unique": 16901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.20
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 7.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.26,3.11],
      "number_observations_unique": 1695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.8
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.483
        }
      ]
    }
  ]

}
  

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


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