Data quality metrics extracted from 7iho.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": "a5ef5322166307034079ba0163ad23eb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 73.14,
    "c": 52.47,
    "alpha": 90.00,
    "beta": 109.36,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.91,1.07],
    "number_observations": 455997,
    "number_observations_unique": 133420,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "R(meas)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 8.50
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.07],
      "number_observations": 65817,
      "number_observations_unique": 19984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.24
        },
        {
          "type": "R(meas)",
          "value": 1.477
        },
        {
          "type": "I/SigI",
          "value": 0.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.432
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.13],
      "number_observations": 67939,
      "number_observations_unique": 19603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "R(meas)",
          "value": 0.864
        },
        {
          "type": "I/SigI",
          "value": 1.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.67
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.21],
      "number_observations": 62336,
      "number_observations_unique": 18692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.55
        },
        {
          "type": "R(meas)",
          "value": 0.654
        },
        {
          "type": "I/SigI",
          "value": 1.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.31],
      "number_observations": 62825,
      "number_observations_unique": 17647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(meas)",
          "value": 0.393
        },
        {
          "type": "I/SigI",
          "value": 3.40
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.43],
      "number_observations": 54277,
      "number_observations_unique": 16044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 6.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.60],
      "number_observations": 51507,
      "number_observations_unique": 14428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 11.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.85],
      "number_observations": 39904,
      "number_observations_unique": 12139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 20.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.27],
      "number_observations": 33588,
      "number_observations_unique": 9596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 29.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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