Data quality metrics extracted from 8rli.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": "7ed67811418c34912991ee73cf5a1a2e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 27.12,
    "b": 31.63,
    "c": 34.15,
    "alpha": 89.16,
    "beta": 72.05,
    "gamma": 67.74
  },
  "wavelengths": [1.45500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [9.96,0.91],
    "number_observations_unique": 67975,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "R(pim)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 2.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.94,0.91],
      "number_observations_unique": 6381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.120
        },
        {
          "type": "R(meas)",
          "value": 1.451
        },
        {
          "type": "R(pim)",
          "value": 0.908
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 89.1
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.148
        }
      ]
    }
  ]

}
  

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


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