Data quality metrics extracted from 1xlm.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": "1fdc4f91cde0c846726e5d08cd97db98",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 139.6,
    "b": 140.7,
    "c": 83.6,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [8.0,2.40],
    "number_observations_unique": 32570,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1200000
      },
      {
        "type": "I/SigI",
        "value": 4.87
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5200000
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
        "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 2.65
        }
      ]
    }
  ]

}
  

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


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