Data quality metrics extracted from 9lrq.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": "a17602ad061d4e46ebfd03a9cf7d641f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.287,
    "b": 82.427,
    "c": 93.430,
    "alpha": 65.19,
    "beta": 80.08,
    "gamma": 79.15
  },
  "wavelengths": [0.99987],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.05,1.70],
    "number_observations_unique": 162443,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.100
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 14.0
      },
      {
        "type": "Completeness",
        "value": 92.6
      },
      {
        "type": "Redundancy",
        "value": 11.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 8183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.026
        },
        {
          "type": "R(meas)",
          "value": 1.074
        },
        {
          "type": "R(pim)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 94.0
        },
        {
          "type": "Redundancy",
          "value": 11.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    }
  ]

}
  

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


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