Data quality metrics extracted from 8ias.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": "baca5977821b44549bcf8b5ccc85e4ae",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.094,
    "b": 84.705,
    "c": 107.012,
    "alpha": 101.22,
    "beta": 96.82,
    "gamma": 91.42
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.07,2.0],
    "number_observations_unique": 168397,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 9.78
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 3.58
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.00],
      "number_observations_unique": 27098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.785
        },
        {
          "type": "R(meas)",
          "value": 0.929
        },
        {
          "type": "CC(1/2)",
          "value": 0.6920000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.12],
      "number_observations_unique": 25640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "R(meas)",
          "value": 0.5720000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.26],
      "number_observations_unique": 23905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "R(meas)",
          "value": 0.365
        },
        {
          "type": "CC(1/2)",
          "value": 0.9440000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.45],
      "number_observations_unique": 22114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20600000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.24100000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9670000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.68],
      "number_observations_unique": 19828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.45,2.99],
      "number_observations_unique": 17382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.23,3.45],
      "number_observations_unique": 14825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.95,4.23],
      "number_observations_unique": 11238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [49.07,5.95],
      "number_observations_unique": 6367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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