Data quality metrics extracted from 6p4f.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": "b6a51b4eb9f6bb78e231f67d5c398924",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 214.687,
    "b": 92.150,
    "c": 172.128,
    "alpha": 90.00,
    "beta": 132.24,
    "gamma": 90.00
  },
  "wavelengths": [1.78830],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [127.432,3.550],
    "number_observations": 85678,
    "number_observations_unique": 28493,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.220
      },
      {
        "type": "R(meas)",
        "value": 0.266
      },
      {
        "type": "R(pim)",
        "value": 0.148
      },
      {
        "type": "I/SigI",
        "value": 4.900
      },
      {
        "type": "Completeness",
        "value": 94.100
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.740,3.550],
      "number_observations": 12512,
      "number_observations_unique": 4105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.451
        },
        {
          "type": "R(meas)",
          "value": 1.755
        },
        {
          "type": "R(pim)",
          "value": 0.973
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 94.300
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [3.970,3.740],
      "number_observations": 12270,
      "number_observations_unique": 4015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.992
        },
        {
          "type": "R(meas)",
          "value": 1.197
        },
        {
          "type": "R(pim)",
          "value": 0.660
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [4.240,3.970],
      "number_observations": 11192,
      "number_observations_unique": 3754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.535
        },
        {
          "type": "R(meas)",
          "value": 0.648
        },
        {
          "type": "R(pim)",
          "value": 0.360
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 95.400
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [4.580,4.240],
      "number_observations": 9106,
      "number_observations_unique": 3233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "R(pim)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 89.100
        },
        {
          "type": "Redundancy",
          "value": 2.800
        }
      ]
    },
    {
      "resolution_limits": [5.020,4.580],
      "number_observations": 10142,
      "number_observations_unique": 3267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "R(meas)",
          "value": 0.258
        },
        {
          "type": "R(pim)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 3.200
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [5.610,5.020],
      "number_observations": 8980,
      "number_observations_unique": 2947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.233
        },
        {
          "type": "R(pim)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [6.480,5.610],
      "number_observations": 7122,
      "number_observations_unique": 2501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "R(meas)",
          "value": 0.206
        },
        {
          "type": "R(pim)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 2.800
        }
      ]
    },
    {
      "resolution_limits": [7.940,6.480],
      "number_observations": 6507,
      "number_observations_unique": 2091,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 92.600
        },
        {
          "type": "Redundancy",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [11.230,7.940],
      "number_observations": 5217,
      "number_observations_unique": 1713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "R(pim)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 9.800
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    },
    {
      "resolution_limits": [39.735,11.230],
      "number_observations": 2630,
      "number_observations_unique": 867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 9.400
        },
        {
          "type": "Completeness",
          "value": 85.800
        },
        {
          "type": "Redundancy",
          "value": 3.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 127.432 39.735 3.970
High resolution limit [Å] 3.550 11.230 3.740
R(merge) 0.2200 0.0500 0.9920
R(meas) 0.2660 0.0610 1.1970
R(pim) 0.1480 0.0340 0.6600
Completeness [%] 94.1 85.8 96.1
Multiplicity 3.0 3.0 3.1


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
39.735-11.230 0.0500 0.0610 0.0340 85.8 3.0
11.230-7.940 0.0590 0.0710 0.0390 95.8 3.0
7.940-6.480 0.1090 0.1320 0.0730 92.6 3.1
6.480-5.610 0.1680 0.2060 0.1160 92.0 2.8
5.610-5.020 0.1920 0.2330 0.1290 96.6 3.0
5.020-4.580 0.2140 0.2580 0.1420 97.2 3.1
4.580-4.240 0.2880 0.3530 0.2010 89.1 2.8
4.240-3.970 0.5350 0.6480 0.3600 95.4 3.0
3.970-3.740 0.9920 1.1970 0.6600 96.1 3.1
3.740-3.550 1.4510 1.7550 0.9730 94.3 3.0