Data quality metrics extracted from 6c6q.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": "63d8d06e13f30e30c2e8fe7e53ac36ef",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.712,
    "b": 135.245,
    "c": 139.516,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.000,2.000],
    "number_observations": 378017,
    "number_observations_unique": 57651,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.179
      },
      {
        "type": "R(meas)",
        "value": 0.195
      },
      {
        "type": "R(pim)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 8.400
      },
      {
        "type": "Completeness",
        "value": 91.200
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations_unique": 2644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.965
        },
        {
          "type": "R(meas)",
          "value": 2.214
        },
        {
          "type": "R(pim)",
          "value": 0.987
        },
        {
          "type": "Completeness",
          "value": 57.800
        },
        {
          "type": "Redundancy",
          "value": 4.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.401
        }
      ]
    },
    {
      "resolution_limits": [62.000,8.940],
      "number_observations_unique": 840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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