Data quality metrics extracted from 6qyc.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": "6327dec17a31f046caf61042ff9150d5",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 90.52,
    "b": 291.50,
    "c": 87.20,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.72001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.520,2.290],
    "number_observations": 1317009,
    "number_observations_unique": 104279,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 17.000
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 12.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.350,2.290],
      "number_observations_unique": 7485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.887
        },
        {
          "type": "R(meas)",
          "value": 1.986
        },
        {
          "type": "R(pim)",
          "value": 0.612
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 10.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.475
        }
      ]
    }
  ]

}
  

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


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