Data quality metrics extracted from 3caz.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": "281ad3ee9cf2b7bd933a6e5718ab2fd8",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 78.962,
    "b": 78.962,
    "c": 456.028,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96411],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.168,3.344],
    "number_observations_unique": 13119,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 11.425
      },
      {
        "type": "Completeness",
        "value": 98.300
      },
      {
        "type": "Redundancy",
        "value": 12.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.47,3.344],
      "number_observations_unique": 1255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.858
        },
        {
          "type": "I/SigI",
          "value": 1.622
        },
        {
          "type": "Completeness",
          "value": 98.20
        },
        {
          "type": "Redundancy",
          "value": 9.40
        }
      ]
    },
    {
      "resolution_limits": [3.61,3.47],
      "number_observations_unique": 1302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.626
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 12.40
        }
      ]
    },
    {
      "resolution_limits": [3.77,3.61],
      "number_observations_unique": 1253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.398
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 13.90
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.77],
      "number_observations_unique": 1288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 13.70
        }
      ]
    },
    {
      "resolution_limits": [4.22,3.97],
      "number_observations_unique": 1274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 13.80
        }
      ]
    },
    {
      "resolution_limits": [4.55,4.22],
      "number_observations_unique": 1304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 13.60
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.55],
      "number_observations_unique": 1309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 98.60
        },
        {
          "type": "Redundancy",
          "value": 13.40
        }
      ]
    },
    {
      "resolution_limits": [5.73,5.00],
      "number_observations_unique": 1324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "Completeness",
          "value": 98.30
        },
        {
          "type": "Redundancy",
          "value": 13.40
        }
      ]
    },
    {
      "resolution_limits": [7.22,5.73],
      "number_observations_unique": 1348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "Completeness",
          "value": 97.60
        },
        {
          "type": "Redundancy",
          "value": 13.20
        }
      ]
    },
    {
      "resolution_limits": [47.168,7.22],
      "number_observations_unique": 1462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 94.10
        },
        {
          "type": "Redundancy",
          "value": 11.80
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.168 47.168 3.610
High resolution limit [Å] 3.344 7.220 3.470
R(merge) 0.0850 0.0460 0.6260
Completeness [%] 98.3 94.1 99.6
Multiplicity 12.8 11.8 12.4


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
47.168-7.220 0.0460 94.1 11.8
7.220-5.730 0.0860 97.6 13.2
5.730-5.000 0.0870 98.3 13.4
5.000-4.550 0.0930 98.6 13.4
4.550-4.220 0.1270 99.2 13.6
4.220-3.970 0.1770 99.5 13.8
3.970-3.770 0.2600 99.5 13.7
3.770-3.610 0.3980 99.5 13.9
3.610-3.470 0.6260 99.6 12.4
3.470-3.344 0.8580 98.2 9.4