Data quality metrics extracted from 1dml.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": "d1eb13931c037c1b8c3871ed29c1419e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.32,
    "b": 100.07,
    "c": 129.53,
    "alpha": 90.00,
    "beta": 100.62,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.87,2.70],
    "number_observations_unique": 37917,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0770000
      },
      {
        "type": "I/SigI",
        "value": 18.4
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.8,2.7],
      "number_observations_unique": 37217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2440000
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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