Data quality metrics extracted from 7ih2.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": "a15c94df2f688231bdeaabc4844d6ed5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.13,
    "b": 73.84,
    "c": 52.32,
    "alpha": 90.00,
    "beta": 109.17,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.92,1.3],
    "number_observations": 266802,
    "number_observations_unique": 78433,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 9.28
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.30],
      "number_observations": 41812,
      "number_observations_unique": 12521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.565
        },
        {
          "type": "R(meas)",
          "value": 1.867
        },
        {
          "type": "I/SigI",
          "value": 0.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.3
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.38],
      "number_observations": 40867,
      "number_observations_unique": 11923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.956
        },
        {
          "type": "R(meas)",
          "value": 1.137
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.512
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.47],
      "number_observations": 36541,
      "number_observations_unique": 11020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.573
        },
        {
          "type": "R(meas)",
          "value": 0.684
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.59],
      "number_observations": 35560,
      "number_observations_unique": 10274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "R(meas)",
          "value": 0.397
        },
        {
          "type": "I/SigI",
          "value": 3.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.895
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.74],
      "number_observations": 32708,
      "number_observations_unique": 9310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.25,1.95],
      "number_observations": 26343,
      "number_observations_unique": 8071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 12.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.25],
      "number_observations": 24499,
      "number_observations_unique": 6959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 20.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.88,2.75],
      "number_observations": 18235,
      "number_observations_unique": 5359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 35.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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