Data quality metrics extracted from 6zh0.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": "5739ef2f5f063c2f36a47f8d9e877662",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.529,
    "b": 115.004,
    "c": 120.849,
    "alpha": 90.00,
    "beta": 100.65,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [118.770,2.270],
    "number_observations": 316693,
    "number_observations_unique": 90924,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.130
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 4.700
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.390,2.270],
      "number_observations": 47546,
      "number_observations_unique": 13274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.928
        },
        {
          "type": "R(meas)",
          "value": 2.267
        },
        {
          "type": "R(pim)",
          "value": 1.186
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    },
    {
      "resolution_limits": [118.770,7.180],
      "number_observations": 9958,
      "number_observations_unique": 2942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 18.800
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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