Data quality metrics extracted from 7ig5.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": "ec4c5fb43e4ba613fbffd51d9ae1c977",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.39,
    "b": 73.31,
    "c": 52.65,
    "alpha": 90.00,
    "beta": 109.39,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.49,1.24],
    "number_observations": 303263,
    "number_observations_unique": 89774,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(meas)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 9.82
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.24],
      "number_observations": 44020,
      "number_observations_unique": 13943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.04
        },
        {
          "type": "R(meas)",
          "value": 1.252
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.409
        }
      ]
    },
    {
      "resolution_limits": [1.4,1.31],
      "number_observations": 47289,
      "number_observations_unique": 13625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.679
        },
        {
          "type": "R(meas)",
          "value": 0.805
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.635
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.40],
      "number_observations": 43821,
      "number_observations_unique": 12780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.402
        },
        {
          "type": "R(meas)",
          "value": 0.477
        },
        {
          "type": "I/SigI",
          "value": 2.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.52],
      "number_observations": 38431,
      "number_observations_unique": 11668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "R(meas)",
          "value": 0.278
        },
        {
          "type": "I/SigI",
          "value": 4.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.66],
      "number_observations": 37924,
      "number_observations_unique": 10725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 8.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.86],
      "number_observations": 31959,
      "number_observations_unique": 9429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 15.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.14],
      "number_observations": 26505,
      "number_observations_unique": 7924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 22.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.7,2.62],
      "number_observations": 21520,
      "number_observations_unique": 6199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 31.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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