Data quality metrics extracted from 9lma.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "26f567ef2315388ac5e8aec8d968903b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.004,
    "b": 72.307,
    "c": 78.006,
    "alpha": 107.60,
    "beta": 114.56,
    "gamma": 100.37
  },
  "wavelengths": [0.97340],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.29,1.74],
    "number_observations_unique": 126051,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.74],
      "number_observations_unique": 17591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.130
        }
      ]
    }
  ]

}
  

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


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