Data quality metrics extracted from 13zh.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": "7637cf3f8dd2d0552043d752d40d1da8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.427,
    "b": 83.635,
    "c": 58.895,
    "alpha": 90.00,
    "beta": 108.39,
    "gamma": 90.00
  },
  "wavelengths": [0.92202],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.860,1.660],
    "number_observations": 372375,
    "number_observations_unique": 59244,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 14.000
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 6.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.690,1.660],
      "number_observations": 11952,
      "number_observations_unique": 2717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.145
        },
        {
          "type": "R(meas)",
          "value": 2.438
        },
        {
          "type": "R(pim)",
          "value": 1.140
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 91.400
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.288
        }
      ]
    },
    {
      "resolution_limits": [55.860,9.090],
      "number_observations": 2306,
      "number_observations_unique": 392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "R(pim)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 68.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    }
  ]

}
  

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


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