Data quality metrics extracted from 7ihl.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": "263f1fc7a50ee0a30523875c7f4ee0de",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.36,
    "b": 73.08,
    "c": 52.65,
    "alpha": 90.0,
    "beta": 109.5,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.91,1.14],
    "number_observations": 389442,
    "number_observations_unique": 114045,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 7.68
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.21,1.14],
      "number_observations": 59566,
      "number_observations_unique": 17646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.25
        },
        {
          "type": "R(meas)",
          "value": 1.485
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.399
        }
      ]
    },
    {
      "resolution_limits": [1.29,1.21],
      "number_observations": 56688,
      "number_observations_unique": 17154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.997
        },
        {
          "type": "R(meas)",
          "value": 1.189
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.29],
      "number_observations": 55102,
      "number_observations_unique": 16075,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.66
        },
        {
          "type": "R(meas)",
          "value": 0.782
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.39],
      "number_observations": 52047,
      "number_observations_unique": 14983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.403
        },
        {
          "type": "R(meas)",
          "value": 0.47700000000000004
        },
        {
          "type": "I/SigI",
          "value": 2.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.53],
      "number_observations": 45813,
      "number_observations_unique": 13561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.26899999999999996
        },
        {
          "type": "I/SigI",
          "value": 5.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.944
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.71],
      "number_observations": 42984,
      "number_observations_unique": 12140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 10.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.41,1.97],
      "number_observations": 33848,
      "number_observations_unique": 10102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.07200000000000001
        },
        {
          "type": "I/SigI",
          "value": 18.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.41,2.41],
      "number_observations": 28375,
      "number_observations_unique": 7959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 27.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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