Data quality metrics extracted from 7igz.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": "11b185d2fc0da9f20786e437d3a17cb6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.29,
    "b": 73.46,
    "c": 52.62,
    "alpha": 90.00,
    "beta": 109.37,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.73,1.85],
    "number_observations": 55117,
    "number_observations_unique": 20704,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 9.99
      },
      {
        "type": "Completeness",
        "value": 74.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.85],
      "number_observations": 2650,
      "number_observations_unique": 1718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.594
        },
        {
          "type": "R(meas)",
          "value": 0.784
        },
        {
          "type": "I/SigI",
          "value": 1.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.667
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.96],
      "number_observations": 4304,
      "number_observations_unique": 2339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.452
        },
        {
          "type": "R(meas)",
          "value": 0.581
        },
        {
          "type": "I/SigI",
          "value": 1.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.09],
      "number_observations": 4854,
      "number_observations_unique": 2457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        },
        {
          "type": "R(meas)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 2.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.829
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.26],
      "number_observations": 7429,
      "number_observations_unique": 2964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "R(meas)",
          "value": 0.317
        },
        {
          "type": "I/SigI",
          "value": 4.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.48],
      "number_observations": 9015,
      "number_observations_unique": 3097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 6.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [3.19,2.77],
      "number_observations": 9444,
      "number_observations_unique": 2818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 11.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.19],
      "number_observations": 7545,
      "number_observations_unique": 2367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 19.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.5,3.91],
      "number_observations": 5987,
      "number_observations_unique": 1852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 26.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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