Data quality metrics extracted from 8c3l.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": "d201d1b9fb2c2de027c30d89cf1b643a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.599,
    "b": 56.563,
    "c": 128.292,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,1.59709555301],
    "number_observations_unique": 83789,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 19.02
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.59709555301],
      "number_observations_unique": 6812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.719
        },
        {
          "type": "R(meas)",
          "value": 1.221
        },
        {
          "type": "Completeness",
          "value": 95.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.565
        }
      ]
    }
  ]

}
  

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


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