Data quality metrics extracted from 9ieq.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": "37e0e9f77e9e055fd09c5d78ae5ddb87",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 105.019,
    "b": 105.019,
    "c": 160.343,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.08,1.41],
    "number_observations_unique": 196094,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 11.86
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 10.71
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.41],
      "number_observations_unique": 27760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.253
        },
        {
          "type": "R(meas)",
          "value": 3.202
        },
        {
          "type": "I/SigI",
          "value": 0.40
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.325
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.56],
      "number_observations_unique": 26204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.367
        },
        {
          "type": "R(meas)",
          "value": 1.431
        },
        {
          "type": "I/SigI",
          "value": 50.72
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.67],
      "number_observations_unique": 24352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.72
        },
        {
          "type": "R(meas)",
          "value": 0.754
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.80],
      "number_observations_unique": 22515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.97],
      "number_observations_unique": 20387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.20],
      "number_observations_unique": 18052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.54],
      "number_observations_unique": 15333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.11],
      "number_observations_unique": 12023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.08,4.39],
      "number_observations_unique": 6877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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