Data quality metrics extracted from 9i2s.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": "cb5951de4c0e1afdf7b1b79291c35d10",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 106.04,
    "b": 156.08,
    "c": 52.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.21,2.4],
    "number_observations_unique": 34384,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "R(meas)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 22.93
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 4.18
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.5,2.40],
      "number_observations_unique": 3879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.821
        },
        {
          "type": "R(meas)",
          "value": 2.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.492
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.50],
      "number_observations_unique": 3305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.088
        },
        {
          "type": "R(meas)",
          "value": 1.246
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    },
    {
      "resolution_limits": [2.8,2.60],
      "number_observations_unique": 5344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.685
        },
        {
          "type": "R(meas)",
          "value": 0.788
        },
        {
          "type": "CC(1/2)",
          "value": 0.831
        }
      ]
    },
    {
      "resolution_limits": [8.0,2.80],
      "number_observations_unique": 20830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [14.0,8.00],
      "number_observations_unique": 826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.009
        },
        {
          "type": "R(meas)",
          "value": 0.011
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [17.0,14.00],
      "number_observations_unique": 92,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.008
        },
        {
          "type": "R(meas)",
          "value": 0.009
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,17.00],
      "number_observations_unique": 108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.007
        },
        {
          "type": "R(meas)",
          "value": 0.009
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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