Data quality metrics extracted from 1w94.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": "4d6515033b138474e6bd34de087a228d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 33.673,
    "b": 77.533,
    "c": 60.965,
    "alpha": 90.00,
    "beta": 100.01,
    "gamma": 90.00
  },
  "wavelengths": [0.97935,0.97950,0.97657],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.460,2.000],
    "number_observations_unique": 20938,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11000
      },
      {
        "type": "I/SigI",
        "value": 9.2300
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57000
        },
        {
          "type": "I/SigI",
          "value": 1.470
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    }
  ]

}
  

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


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