Data quality metrics extracted from 7i0l.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "007d532d4457a0e6f03e9d418afbf315",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.037,
    "b": 101.890,
    "c": 146.567,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11581],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.860,1.970],
    "number_observations": 307998,
    "number_observations_unique": 47442,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "R(meas)",
        "value": 0.090
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 13.900
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.970],
      "number_observations": 20514,
      "number_observations_unique": 3303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.322
        },
        {
          "type": "R(meas)",
          "value": 2.531
        },
        {
          "type": "R(pim)",
          "value": 0.991
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.319
        }
      ]
    },
    {
      "resolution_limits": [48.860,9.040],
      "number_observations": 3501,
      "number_observations_unique": 590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 65.500
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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