Data quality metrics extracted from 6iql.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": "97ff8b55b95d1a124b96b5ad699a3223",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 46.7,
    "b": 142.0,
    "c": 146.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,3.400],
    "number_observations_unique": 13628,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.230
      },
      {
        "type": "R(meas)",
        "value": 0.253
      },
      {
        "type": "I/SigI",
        "value": 3.190
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 5.427
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.6,3.400],
      "number_observations_unique": 3671,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 95
        },
        {
          "type": "Redundancy",
          "value": 5
        },
        {
          "type": "CC(1/2)",
          "value": 0.55
        }
      ]
    },
    {
      "resolution_limits": [3.8,3.6],
      "number_observations_unique": 1397,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 5.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.84
        }
      ]
    },
    {
      "resolution_limits": [4,3.8],
      "number_observations_unique": 2500,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.81
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 5.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    },
    {
      "resolution_limits": [4.5,4.0],
      "number_observations_unique": 1617,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.87
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 5.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    },
    {
      "resolution_limits": [5,4.5],
      "number_observations_unique": 3316,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.87
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [8,5],
      "number_observations_unique": 542,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.56
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 4.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [10,8],
      "number_observations_unique": 424,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.72
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 5.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    }
  ]

}
  

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


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