Data quality metrics extracted from 6fme.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": "28e6e3eb468a73db4919ccf1b1d2fb42",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 76.010,
    "b": 101.925,
    "c": 152.569,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.506,1.51],
    "number_observations_unique": 175921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0806
      },
      {
        "type": "I/SigI",
        "value": 10.32
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.564,1.51],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.23
        },
        {
          "type": "I/SigI",
          "value": 0.89
        }
      ]
    }
  ]

}
  

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


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