Data quality metrics extracted from 7ih8.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": "ce832cc20e9263719e4ecba2d96f98ac",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.32,
    "b": 73.22,
    "c": 52.59,
    "alpha": 90.00,
    "beta": 109.28,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.61,1.33],
    "number_observations": 248161,
    "number_observations_unique": 73380,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 6.04
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.41,1.33],
      "number_observations": 38462,
      "number_observations_unique": 11522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.545
        },
        {
          "type": "R(meas)",
          "value": 1.841
        },
        {
          "type": "I/SigI",
          "value": 0.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.41],
      "number_observations": 37974,
      "number_observations_unique": 11213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.978
        },
        {
          "type": "R(meas)",
          "value": 1.163
        },
        {
          "type": "I/SigI",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.523
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.50],
      "number_observations": 32910,
      "number_observations_unique": 10212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.607
        },
        {
          "type": "R(meas)",
          "value": 0.728
        },
        {
          "type": "I/SigI",
          "value": 1.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.732
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.62],
      "number_observations": 33997,
      "number_observations_unique": 9662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.371
        },
        {
          "type": "R(meas)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 3.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.78],
      "number_observations": 30364,
      "number_observations_unique": 8746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 6.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.3,1.99],
      "number_observations": 24212,
      "number_observations_unique": 7560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 9.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.30],
      "number_observations": 23327,
      "number_observations_unique": 6557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 13.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.96,2.81],
      "number_observations": 17186,
      "number_observations_unique": 5065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 18.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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