Data quality metrics extracted from 1tw9.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": "d35cb54c01db3608049f37e6aa05e8d7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.678,
    "b": 74.034,
    "c": 88.573,
    "alpha": 79.09,
    "beta": 80.08,
    "gamma": 81.55
  },
  "wavelengths": [0.94700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,1.70],
    "number_observations_unique": 184048,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 6.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations_unique": 15605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 81.4
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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