Data quality metrics extracted from 3hqz.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": "4069a91137ba30aea5873d92608aa7c3",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 120.917,
    "b": 120.917,
    "c": 83.946,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.960,1.700],
    "number_observations_unique": 48897,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 5.050
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 9610,
      "number_observations_unique": 3877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 77.10
        },
        {
          "type": "Redundancy",
          "value": 2.48
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations": 15354,
      "number_observations_unique": 4760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 94.10
        },
        {
          "type": "Redundancy",
          "value": 3.23
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations": 25044,
      "number_observations_unique": 5007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 5.00
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations": 27576,
      "number_observations_unique": 5064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.44
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations": 27463,
      "number_observations_unique": 4999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.48
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations": 28088,
      "number_observations_unique": 5036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 8.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.56
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations": 28477,
      "number_observations_unique": 5051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.61
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.54],
      "number_observations": 28637,
      "number_observations_unique": 5030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 15.7
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.65
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.91],
      "number_observations": 28960,
      "number_observations_unique": 5040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 21.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.66
        }
      ]
    },
    {
      "resolution_limits": [38.96,3.66],
      "number_observations": 29356,
      "number_observations_unique": 5033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 29.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.66
        }
      ]
    }
  ]

}
  

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


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