Data quality metrics extracted from 7gcl.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": "5ada8b87063bc3f433badc83c05f6fd4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.759,
    "b": 53.080,
    "c": 45.126,
    "alpha": 90.00,
    "beta": 102.32,
    "gamma": 90.00
  },
  "wavelengths": [0.91257],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.11,1.83],
    "number_observations": 75692,
    "number_observations_unique": 23125,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.83],
      "number_observations": 4591,
      "number_observations_unique": 1368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.868
        },
        {
          "type": "R(meas)",
          "value": 2.215
        },
        {
          "type": "R(pim)",
          "value": 1.180
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.335
        }
      ]
    }
  ]

}
  

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


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