Data quality metrics extracted from 5w3a.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": "eeb1428e500a20fcee1fe9dfb1be579d",
  "space_group_name": "P 6 2 2",
  "unit_cell": {
    "a": 180.329,
    "b": 180.329,
    "c": 50.566,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.082,2.760],
    "number_observations": 222910,
    "number_observations_unique": 12968,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.327
      },
      {
        "type": "R(meas)",
        "value": 0.337
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 9.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 17.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.910,2.760],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.370
        },
        {
          "type": "R(meas)",
          "value": 2.507
        },
        {
          "type": "R(pim)",
          "value": 0.805
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.400
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.910],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.547
        },
        {
          "type": "R(meas)",
          "value": 1.595
        },
        {
          "type": "R(pim)",
          "value": 0.386
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.800
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.090],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.908
        },
        {
          "type": "R(meas)",
          "value": 0.934
        },
        {
          "type": "R(pim)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.500
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.300],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.545
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "R(pim)",
          "value": 0.128
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.560],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.378
        },
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.800
        }
      ]
    },
    {
      "resolution_limits": [4.360,3.900],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        },
        {
          "type": "R(meas)",
          "value": 0.224
        },
        {
          "type": "R(pim)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.900
        }
      ]
    },
    {
      "resolution_limits": [5.040,4.360],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "R(meas)",
          "value": 0.164
        },
        {
          "type": "R(pim)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 4.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.300
        }
      ]
    },
    {
      "resolution_limits": [6.170,5.040],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        }
      ]
    },
    {
      "resolution_limits": [8.730,6.170],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 4.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.700
        }
      ]
    },
    {
      "resolution_limits": [45.082,8.730],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 12.100
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 13.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.082 45.082 3.090
High resolution limit [Å] 2.760 8.730 2.910
R(merge) 0.3270 0.0530 1.5470
R(meas) 0.3370 0.0560 1.5950
R(pim) 0.0800 0.0150 0.3860
Completeness [%] 100.0 99.1 100.0
Multiplicity 17.2 13.7 16.8


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
45.082-8.730 0.0530 0.0560 0.0150 99.1 13.7
8.730-6.170 0.1500 0.1540 0.0360 100.0 17.7
6.170-5.040 0.1850 0.1910 0.0440 100.0 19.0
5.040-4.360 0.1600 0.1640 0.0370 100.0 19.3
4.360-3.900 0.2180 0.2240 0.0500 100.0 19.9
3.900-3.560 0.3680 0.3780 0.0850 100.0 19.8
3.560-3.300 0.5450 0.5600 0.1280 100.0 19.0
3.300-3.090 0.9080 0.9340 0.2150 100.0 18.5
3.090-2.910 1.5470 1.5950 0.3860 100.0 16.8
2.910-2.760 2.3700 2.5070 0.8050 100.0 9.4