Data quality metrics extracted from 1g7s.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": "8ea3832b71df50f5cba6d57582dc4ad0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.430,
    "b": 54.523,
    "c": 91.860,
    "alpha": 104.54,
    "beta": 100.18,
    "gamma": 99.04
  },
  "wavelengths": [0.97880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22,2],
    "number_observations_unique": 53169,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0580000
      },
      {
        "type": "I/SigI",
        "value": 25
      },
      {
        "type": "Completeness",
        "value": 90
      },
      {
        "type": "Redundancy",
        "value": 6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1500000
        },
        {
          "type": "Completeness",
          "value": 86.4
        },
        {
          "type": "Redundancy",
          "value": 6
        }
      ]
    }
  ]

}
  

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


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