Data quality metrics extracted from 8im1.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": "6ed759ccdbb0fdfad4695411329c9432",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.07,
    "b": 74.83,
    "c": 94.64,
    "alpha": 111.33,
    "beta": 100.68,
    "gamma": 104.42
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.97,2.05],
    "number_observations": 349365,
    "number_observations_unique": 97591,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.05],
      "number_observations": 25139,
      "number_observations_unique": 7164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.987
        },
        {
          "type": "R(meas)",
          "value": 1.169
        },
        {
          "type": "R(pim)",
          "value": 0.619
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.540
        }
      ]
    }
  ]

}
  

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


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