Data quality metrics extracted from 7iau.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "ff4c6826283df333a75c3b901562b5ab",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 60.33,
    "b": 60.33,
    "c": 214.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.66,1.7],
    "number_observations": 375238,
    "number_observations_unique": 42786,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.111
      },
      {
        "type": "I/SigI",
        "value": 13.27
      },
      {
        "type": "Completeness",
        "value": 95.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.70],
      "number_observations": 47903,
      "number_observations_unique": 6153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.265
        },
        {
          "type": "R(meas)",
          "value": 1.348
        },
        {
          "type": "I/SigI",
          "value": 1.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.80],
      "number_observations": 44917,
      "number_observations_unique": 6078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.809
        },
        {
          "type": "R(meas)",
          "value": 0.865
        },
        {
          "type": "I/SigI",
          "value": 2.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.7859999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.93],
      "number_observations": 47826,
      "number_observations_unique": 5923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.455
        },
        {
          "type": "R(meas)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 4.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.9159999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.08],
      "number_observations": 50793,
      "number_observations_unique": 5655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "R(meas)",
          "value": 0.292
        },
        {
          "type": "I/SigI",
          "value": 8.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.28],
      "number_observations": 52006,
      "number_observations_unique": 5233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.20199999999999999
        },
        {
          "type": "I/SigI",
          "value": 12.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.55],
      "number_observations": 43073,
      "number_observations_unique": 4660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 18.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.6,2.94],
      "number_observations": 41700,
      "number_observations_unique": 4004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.07200000000000001
        },
        {
          "type": "I/SigI",
          "value": 30.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.07,3.60],
      "number_observations": 29095,
      "number_observations_unique": 3178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 38.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [42.66,5.07],
      "number_observations": 17925,
      "number_observations_unique": 1902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 38.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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