Data quality metrics extracted from 9i1s.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": "31e3c06983f678fe661e02014e637019",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.327,
    "b": 70.632,
    "c": 86.149,
    "alpha": 103.11,
    "beta": 96.10,
    "gamma": 112.15
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.615,2.088],
    "number_observations_unique": 67228,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.124,2.088],
      "number_observations_unique": 3108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.642
        },
        {
          "type": "R(meas)",
          "value": 0.812
        },
        {
          "type": "R(pim)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 85.2
        },
        {
          "type": "Redundancy",
          "value": 2.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.809
        }
      ]
    }
  ]

}
  

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


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