Data quality metrics extracted from 7ii2.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": "3a938d765b54a36505015d11ba8c74a7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.26,
    "b": 72.91,
    "c": 52.44,
    "alpha": 90.00,
    "beta": 109.13,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.65,1.12],
    "number_observations": 396109,
    "number_observations_unique": 112726,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 9.68
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.12],
      "number_observations": 58034,
      "number_observations_unique": 16726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.238
        },
        {
          "type": "R(meas)",
          "value": 1.458
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.421
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.19],
      "number_observations": 59422,
      "number_observations_unique": 16793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.837
        },
        {
          "type": "R(meas)",
          "value": 0.985
        },
        {
          "type": "I/SigI",
          "value": 1.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.586
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.27],
      "number_observations": 55992,
      "number_observations_unique": 15841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.537
        },
        {
          "type": "R(meas)",
          "value": 0.63
        },
        {
          "type": "I/SigI",
          "value": 2.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.775
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.37],
      "number_observations": 54344,
      "number_observations_unique": 15048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "R(meas)",
          "value": 0.36
        },
        {
          "type": "I/SigI",
          "value": 3.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.911
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.50],
      "number_observations": 47243,
      "number_observations_unique": 13373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.196
        },
        {
          "type": "I/SigI",
          "value": 7.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.68],
      "number_observations": 44281,
      "number_observations_unique": 12297,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 13.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.37,1.94],
      "number_observations": 33930,
      "number_observations_unique": 10125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 23.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.34,2.37],
      "number_observations": 27849,
      "number_observations_unique": 8118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 33.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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