Data quality metrics extracted from 6i1r.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": "65794bf194e6eed847e73ea4a5a177ab",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.379,
    "b": 181.009,
    "c": 53.081,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.800],
    "number_observations_unique": 20716,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.185
      },
      {
        "type": "R(meas)",
        "value": 0.201
      },
      {
        "type": "R(pim)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 7.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.800],
      "number_observations_unique": 3021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.944
        },
        {
          "type": "R(meas)",
          "value": 2.094
        },
        {
          "type": "R(pim)",
          "value": 0.773
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.200
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.950],
      "number_observations_unique": 2831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.365
        },
        {
          "type": "R(meas)",
          "value": 1.471
        },
        {
          "type": "R(pim)",
          "value": 0.546
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.130],
      "number_observations_unique": 2708,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.889
        },
        {
          "type": "R(meas)",
          "value": 0.959
        },
        {
          "type": "R(pim)",
          "value": 0.358
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.350],
      "number_observations_unique": 2480,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "R(meas)",
          "value": 0.551
        },
        {
          "type": "R(pim)",
          "value": 0.213
        },
        {
          "type": "I/SigI",
          "value": 3.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        }
      ]
    },
    {
      "resolution_limits": [3.960,3.610],
      "number_observations_unique": 2312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "R(meas)",
          "value": 0.269
        },
        {
          "type": "R(pim)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.200
        }
      ]
    },
    {
      "resolution_limits": [4.430,3.960],
      "number_observations_unique": 2082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "R(pim)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 11.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.200
        }
      ]
    },
    {
      "resolution_limits": [5.110,4.430],
      "number_observations_unique": 1834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 14.3
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.800
        }
      ]
    },
    {
      "resolution_limits": [6.260,5.110],
      "number_observations_unique": 1560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.128
        },
        {
          "type": "R(pim)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 12.5
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.900
        }
      ]
    },
    {
      "resolution_limits": [8.850,6.260],
      "number_observations_unique": 1220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 19.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        }
      ]
    },
    {
      "resolution_limits": [45.787,8.850],
      "number_observations_unique": 668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 32.0
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.800
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 45.787 3.130
High resolution limit [Å] 2.800 8.850 2.950
R(merge) 0.1850 0.0400 1.3650
R(meas) 0.2010 0.0450 1.4710
R(pim) 0.0760 0.0200 0.5460
Completeness [%] 100.0 99.5 100.0
Multiplicity 7.0 6.8 7.1


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
45.787-8.850 0.0400 0.0450 0.0200 99.5 6.8
8.850-6.260 0.0620 0.0670 0.0250 100.0 7.1
6.260-5.110 0.1180 0.1280 0.0490 100.0 6.9
5.110-4.430 0.1080 0.1180 0.0450 99.9 6.8
4.430-3.960 0.1300 0.1400 0.0520 100.0 7.2
3.960-3.610 0.2500 0.2690 0.1000 100.0 7.2
3.610-3.350 0.5070 0.5510 0.2130 100.0 6.6
3.350-3.130 0.8890 0.9590 0.3580 100.0 7.1
3.130-2.950 1.3650 1.4710 0.5460 100.0 7.1
2.950-2.800 1.9440 2.0940 0.7730 100.0 7.2