Data quality metrics extracted from 7ih0.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": "9f86f63a744a3d263fff99f062b5a595",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 73.05,
    "c": 52.65,
    "alpha": 90.00,
    "beta": 109.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.42,1.11],
    "number_observations": 415940,
    "number_observations_unique": 118701,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 8.08
      },
      {
        "type": "Completeness",
        "value": 92.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.11],
      "number_observations": 60294,
      "number_observations_unique": 17689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.404
        },
        {
          "type": "R(meas)",
          "value": 1.659
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    },
    {
      "resolution_limits": [1.26,1.18],
      "number_observations": 62432,
      "number_observations_unique": 17817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.014
        },
        {
          "type": "R(meas)",
          "value": 1.194
        },
        {
          "type": "I/SigI",
          "value": 1.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.501
        }
      ]
    },
    {
      "resolution_limits": [1.36,1.26],
      "number_observations": 57647,
      "number_observations_unique": 16671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.721
        },
        {
          "type": "R(meas)",
          "value": 0.851
        },
        {
          "type": "I/SigI",
          "value": 1.64
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.36],
      "number_observations": 56320,
      "number_observations_unique": 15691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 2.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.49],
      "number_observations": 48916,
      "number_observations_unique": 14112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "R(meas)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 5.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.66],
      "number_observations": 46582,
      "number_observations_unique": 12835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 10.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.35,1.92],
      "number_observations": 36542,
      "number_observations_unique": 10659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 19.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.35],
      "number_observations": 30857,
      "number_observations_unique": 8547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 29.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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