Data quality metrics extracted from 7ig8.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": "d002270f9ee51bf67cfc6cbc47ed2a71",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 73.46,
    "c": 52.53,
    "alpha": 90.00,
    "beta": 109.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.73,1.59],
    "number_observations": 130480,
    "number_observations_unique": 41077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 12.20
      },
      {
        "type": "Completeness",
        "value": 93.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.9940
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.59],
      "number_observations": 17743,
      "number_observations_unique": 6105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "R(meas)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 7.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.68],
      "number_observations": 18795,
      "number_observations_unique": 6074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 8.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.80],
      "number_observations": 18119,
      "number_observations_unique": 5790,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 10.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.94],
      "number_observations": 16883,
      "number_observations_unique": 5376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 12.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.13],
      "number_observations": 14866,
      "number_observations_unique": 4854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 13.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.38],
      "number_observations": 15314,
      "number_observations_unique": 4440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 15.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.36,2.74],
      "number_observations": 13164,
      "number_observations_unique": 3817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 16.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.73,3.36],
      "number_observations": 9463,
      "number_observations_unique": 2930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 16.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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