Data quality metrics extracted from 7lm7.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": "4b350c1090c7d8ebdd9b6186164a0b70",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 47.346,
    "b": 72.959,
    "c": 81.463,
    "alpha": 90.00,
    "beta": 95.57,
    "gamma": 90.00
  },
  "wavelengths": [0.95400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.58,3.12],
    "number_observations_unique": 4870,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 11.8
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.23,3.12],
      "number_observations_unique": 412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    }
  ]

}
  

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


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