Data quality metrics extracted from 7iib.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": "d6c4731327257f3d829ff58941c25ae0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 72.93,
    "c": 52.60,
    "alpha": 90.00,
    "beta": 109.38,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.81,1.01],
    "number_observations": 724856,
    "number_observations_unique": 167393,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 7.88
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.07,1.01],
      "number_observations": 109569,
      "number_observations_unique": 26351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.383
        },
        {
          "type": "R(meas)",
          "value": 1.583
        },
        {
          "type": "I/SigI",
          "value": 0.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.406
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.07],
      "number_observations": 100993,
      "number_observations_unique": 25404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.71
        },
        {
          "type": "R(meas)",
          "value": 0.818
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.706
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.14],
      "number_observations": 102605,
      "number_observations_unique": 23755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.456
        },
        {
          "type": "R(meas)",
          "value": 0.519
        },
        {
          "type": "I/SigI",
          "value": 2.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.858
        }
      ]
    },
    {
      "resolution_limits": [1.35,1.24],
      "number_observations": 98455,
      "number_observations_unique": 21943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "R(meas)",
          "value": 0.38
        },
        {
          "type": "I/SigI",
          "value": 3.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.35],
      "number_observations": 85243,
      "number_observations_unique": 19819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 6.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.51],
      "number_observations": 79949,
      "number_observations_unique": 17519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 11.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.75],
      "number_observations": 68152,
      "number_observations_unique": 14764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 19.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.14],
      "number_observations": 49318,
      "number_observations_unique": 11466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 25.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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