Data quality metrics extracted from 7ib9.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": "9ba647519d8116f87f0a0382ea6ec7cb",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 36.66,
    "b": 36.66,
    "c": 141.42,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.49,1.61],
    "number_observations": 158813,
    "number_observations_unique": 13240,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07400000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 19.28
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.61],
      "number_observations": 25907,
      "number_observations_unique": 2062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.726
        },
        {
          "type": "R(meas)",
          "value": 1.8
        },
        {
          "type": "I/SigI",
          "value": 1.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.5920000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.71],
      "number_observations": 24151,
      "number_observations_unique": 1971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.02
        },
        {
          "type": "R(meas)",
          "value": 1.065
        },
        {
          "type": "I/SigI",
          "value": 2.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.8059999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations": 21910,
      "number_observations_unique": 1817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.532
        },
        {
          "type": "R(meas)",
          "value": 0.556
        },
        {
          "type": "I/SigI",
          "value": 5.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.9329999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.97],
      "number_observations": 21734,
      "number_observations_unique": 1713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27399999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 10.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.16],
      "number_observations": 18134,
      "number_observations_unique": 1542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.17800000000000002
        },
        {
          "type": "I/SigI",
          "value": 16.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.42],
      "number_observations": 17256,
      "number_observations_unique": 1383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10400000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 26.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.41,2.79],
      "number_observations": 13280,
      "number_observations_unique": 1195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057999999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 42.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.8,3.41],
      "number_observations": 10389,
      "number_observations_unique": 956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036000000000000004
        },
        {
          "type": "I/SigI",
          "value": 68.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [35.49,4.80],
      "number_observations": 6052,
      "number_observations_unique": 601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026000000000000002
        },
        {
          "type": "I/SigI",
          "value": 70.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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