Data quality metrics extracted from 13zo.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": "21ca1df9356671d9fc7aaa4f80667ad6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.497,
    "b": 83.943,
    "c": 59.027,
    "alpha": 90.00,
    "beta": 108.08,
    "gamma": 90.00
  },
  "wavelengths": [0.92202],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.110,1.510],
    "number_observations": 421112,
    "number_observations_unique": 73772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 11.800
      },
      {
        "type": "Completeness",
        "value": 91.600
      },
      {
        "type": "Redundancy",
        "value": 5.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.540,1.510],
      "number_observations": 5239,
      "number_observations_unique": 2123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.455
        },
        {
          "type": "R(meas)",
          "value": 1.858
        },
        {
          "type": "R(pim)",
          "value": 1.129
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 53.900
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [56.110,8.270],
      "number_observations": 3273,
      "number_observations_unique": 524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 62.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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