Data quality metrics extracted from 9ri2.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": "a77ef6fd1d22523b28cd4451e15b41b3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.751,
    "b": 55.517,
    "c": 186.017,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.67,2.70],
    "number_observations_unique": 15493,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.228
      },
      {
        "type": "R(meas)",
        "value": 0.256
      },
      {
        "type": "R(pim)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.70],
      "number_observations_unique": 2017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.230
        },
        {
          "type": "R(meas)",
          "value": 1.382
        },
        {
          "type": "R(pim)",
          "value": 0.617
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 97.0
        },
        {
          "type": "Redundancy",
          "value": 4.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.455
        }
      ]
    }
  ]

}
  

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


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