Data quality metrics extracted from 7ik1.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": "07aeecdeb52216c5fdf7752930f1e0ce",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.358,
    "b": 33.607,
    "c": 60.396,
    "alpha": 90.00,
    "beta": 95.83,
    "gamma": 90.00
  },
  "wavelengths": [0.92208],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.170,1.340],
    "number_observations": 196676,
    "number_observations_unique": 33029,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 10.300
      },
      {
        "type": "Completeness",
        "value": 97.900
      },
      {
        "type": "Redundancy",
        "value": 6.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.360,1.340],
      "number_observations": 4268,
      "number_observations_unique": 1325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.594
        },
        {
          "type": "R(meas)",
          "value": 1.919
        },
        {
          "type": "R(pim)",
          "value": 1.033
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 80.500
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.332
        }
      ]
    },
    {
      "resolution_limits": [37.170,7.340],
      "number_observations": 1294,
      "number_observations_unique": 232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 58.500
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    }
  ]

}
  

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


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