Data quality metrics extracted from 7ii8.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": "890c042014e4b0ca56fd1296145653fe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.37,
    "b": 73.45,
    "c": 52.65,
    "alpha": 90.00,
    "beta": 109.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.83,1.27],
    "number_observations": 378185,
    "number_observations_unique": 85086,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 8.95
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.35,1.27],
      "number_observations": 57428,
      "number_observations_unique": 13235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.374
        },
        {
          "type": "R(meas)",
          "value": 1.562
        },
        {
          "type": "I/SigI",
          "value": 0.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.479
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.35],
      "number_observations": 54611,
      "number_observations_unique": 12955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.765
        },
        {
          "type": "R(meas)",
          "value": 0.877
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.44],
      "number_observations": 52195,
      "number_observations_unique": 12129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "R(meas)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 3.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    },
    {
      "resolution_limits": [1.7,1.55],
      "number_observations": 51568,
      "number_observations_unique": 11127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "R(meas)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [1.9,1.70],
      "number_observations": 47376,
      "number_observations_unique": 10065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 9.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.90],
      "number_observations": 40202,
      "number_observations_unique": 8916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 15.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.20],
      "number_observations": 32310,
      "number_observations_unique": 7530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 19.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.8,2.69],
      "number_observations": 27137,
      "number_observations_unique": 5860,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 25.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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