Data quality metrics extracted from 9rls.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": "41b11caf7118375ad2a90acfeeea04c6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.59,
    "b": 71.65,
    "c": 131.46,
    "alpha": 102.572,
    "beta": 96.375,
    "gamma": 90.006
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.75],
    "number_observations_unique": 40627,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 10.01
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.75],
      "number_observations_unique": 1999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "R(meas)",
          "value": 0.473
        },
        {
          "type": "Completeness",
          "value": 60.7
        },
        {
          "type": "Redundancy",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.739
        }
      ]
    }
  ]

}
  

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


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