Data quality metrics extracted from 3lsd.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": "8b8eefb3ede27a4e33eb121454a76a3d",
  "space_group_name": "P 31 1 2",
  "unit_cell": {
    "a": 37.813,
    "b": 37.813,
    "c": 153.500,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.030,2.010],
    "number_observations_unique": 8444,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07400
      },
      {
        "type": "I/SigI",
        "value": 17.8000
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 6.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.01],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21500
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 77.5
        },
        {
          "type": "Redundancy",
          "value": 5.60
        }
      ]
    }
  ]

}
  

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


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