Data quality metrics extracted from 8fw1.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": "8e508d93bd7fc417a2091f533f9e15a8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.165,
    "b": 51.849,
    "c": 144.935,
    "alpha": 90.51,
    "beta": 90.11,
    "gamma": 114.86
  },
  "wavelengths": [0.92020],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.51,1.5],
    "number_observations_unique": 205104,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "R(pim)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 96.61
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.5],
      "number_observations_unique": 10107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "R(pim)",
          "value": 0.239
        },
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    }
  ]

}
  

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


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