Data quality metrics extracted from 6swh.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": "5719dfe5ec99fb48add9ad084481b3b4",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 198.35,
    "b": 198.35,
    "c": 87.56,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.0,2.800],
    "number_observations_unique": 48258,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 21.270
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 5.851
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.000,2.800],
      "number_observations_unique": 8945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.576
        },
        {
          "type": "R(meas)",
          "value": 0.643
        },
        {
          "type": "I/SigI",
          "value": 3.070
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 5.137
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.000],
      "number_observations_unique": 22611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 13.020
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.784
        }
      ]
    },
    {
      "resolution_limits": [6.000,4.000],
      "number_observations_unique": 11753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 38.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.360
        }
      ]
    },
    {
      "resolution_limits": [10.000,6.000],
      "number_observations_unique": 3935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 48.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.278
        }
      ]
    },
    {
      "resolution_limits": [12.000,10.000],
      "number_observations_unique": 467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 63.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.206
        }
      ]
    },
    {
      "resolution_limits": [15.000,12.000],
      "number_observations_unique": 316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 62.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.041
        }
      ]
    },
    {
      "resolution_limits": [18.000,15.000],
      "number_observations_unique": 142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 62.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.000
        }
      ]
    },
    {
      "resolution_limits": [19.000,18.000],
      "number_observations_unique": 28,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 59.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.571
        }
      ]
    },
    {
      "resolution_limits": [20.000,19.000],
      "number_observations_unique": 23,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 61.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.696
        }
      ]
    },
    {
      "resolution_limits": [21.000,20.000],
      "number_observations_unique": 20,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 63.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.400
        }
      ]
    },
    {
      "resolution_limits": [22.0,21.000],
      "number_observations_unique": 18,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 63.060
        },
        {
          "type": "Completeness",
          "value": 13.500
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 22.000 22.000 4.000
High resolution limit [Å] 2.800 21.000 3.000
R(merge) 0.0660 0.0240 0.1280
R(meas) 0.0720 0.0270 0.1410
Completeness [%] 99.3 13.5 99.4
Multiplicity 5.9 5.5 5.8


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

Resolution [Å] R(merge) R(meas) Completeness [%] Multiplicity
22.000-21.000 0.0240 0.0270 13.5 5.5
21.000-20.000 0.0240 0.0260 100.0 5.4
20.000-19.000 0.0270 0.0290 100.0 5.7
19.000-18.000 0.0220 0.0250 100.0 5.6
18.000-15.000 0.0230 0.0250 100.0 6.0
15.000-12.000 0.0220 0.0240 99.4 6.0
12.000-10.000 0.0230 0.0250 99.8 6.2
10.000-6.000 0.0290 0.0320 99.9 6.3
6.000-4.000 0.0410 0.0450 99.9 6.4
4.000-3.000 0.1280 0.1410 99.4 5.8
3.000-2.800 0.5760 0.6430 99.2 5.1