Data quality metrics extracted from 7a9h.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": "0fea5ccce2e82799ad5945ec30175e60",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 62.987,
    "b": 76.100,
    "c": 79.148,
    "alpha": 108.956,
    "beta": 106.530,
    "gamma": 107.594
  },
  "wavelengths": [1.03321],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.832,1.849],
    "number_observations_unique": 93268,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0233
      },
      {
        "type": "R(pim)",
        "value": 0.0233
      },
      {
        "type": "I/SigI",
        "value": 20.99
      },
      {
        "type": "Completeness",
        "value": 91
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.916,1.85],
      "number_observations_unique": 6412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0852
        },
        {
          "type": "R(pim)",
          "value": 0.0852
        },
        {
          "type": "I/SigI",
          "value": 6.54
        },
        {
          "type": "Completeness",
          "value": 62.53
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    }
  ]

}
  

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


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