Data quality metrics extracted from 7igk.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": "caaafc4e068e5fcb5751f7c7ecb64181",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 73.25,
    "c": 52.46,
    "alpha": 90.00,
    "beta": 109.35,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.72,1.18],
    "number_observations": 349216,
    "number_observations_unique": 104094,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 9.43
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations": 52492,
      "number_observations_unique": 16212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.323
        },
        {
          "type": "R(meas)",
          "value": 1.584
        },
        {
          "type": "I/SigI",
          "value": 0.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.325
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.25],
      "number_observations": 50503,
      "number_observations_unique": 15786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.931
        },
        {
          "type": "R(meas)",
          "value": 1.12
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.461
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.33],
      "number_observations": 51121,
      "number_observations_unique": 14818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58
        },
        {
          "type": "R(meas)",
          "value": 0.688
        },
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.718
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations": 45737,
      "number_observations_unique": 13682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 3.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.889
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.58],
      "number_observations": 42484,
      "number_observations_unique": 12338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 7.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.76],
      "number_observations": 38071,
      "number_observations_unique": 10927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 14.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.04],
      "number_observations": 30132,
      "number_observations_unique": 9169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 22.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.52,2.49],
      "number_observations": 25161,
      "number_observations_unique": 7160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 33.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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