Data quality metrics extracted from 1dxx.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": "69da47a6603e19d163614f37c342a29b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.69,
    "b": 79.33,
    "c": 81.95,
    "alpha": 61.08,
    "beta": 78.22,
    "gamma": 70.54
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.600],
    "number_observations_unique": 36284,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05100
      },
      {
        "type": "I/SigI",
        "value": 12.7000
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 1.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25000
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 91.6
        },
        {
          "type": "Redundancy",
          "value": 1.60
        }
      ]
    }
  ]

}
  

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


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