Data quality metrics extracted from 9ier.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": "55094555e8d347e90c1c0b728efd544f",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.01,
    "b": 105.01,
    "c": 160.21,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.05,1.47],
    "number_observations_unique": 173394,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 14.81
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.21
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.47],
      "number_observations_unique": 27784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.95
        },
        {
          "type": "R(meas)",
          "value": 2.055
        },
        {
          "type": "I/SigI",
          "value": 0.74
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.602
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.56],
      "number_observations_unique": 26169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.117
        },
        {
          "type": "R(meas)",
          "value": 1.169
        },
        {
          "type": "I/SigI",
          "value": 59.01
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.852
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.67],
      "number_observations_unique": 24335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.603
        },
        {
          "type": "R(meas)",
          "value": 0.631
        },
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.80],
      "number_observations_unique": 22487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.97],
      "number_observations_unique": 20370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.20],
      "number_observations_unique": 18044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.54],
      "number_observations_unique": 15324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.11],
      "number_observations_unique": 12010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.05,4.39],
      "number_observations_unique": 6867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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