Data quality metrics extracted from 6z1d.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": "fb38d222e4cf4dd34dd5edaaac5f23bb",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 111.990,
    "b": 111.990,
    "c": 283.818,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.68745],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.990,2.705],
    "number_observations": 375979,
    "number_observations_unique": 19125,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 37.200
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 19.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.850,2.705],
      "number_observations_unique": 2738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.624
        },
        {
          "type": "R(meas)",
          "value": 0.658
        },
        {
          "type": "R(pim)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 19.300
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.850],
      "number_observations_unique": 2627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.375
        },
        {
          "type": "R(meas)",
          "value": 0.395
        },
        {
          "type": "R(pim)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.020],
      "number_observations_unique": 2442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.216
        },
        {
          "type": "R(meas)",
          "value": 0.227
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.800
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.230],
      "number_observations_unique": 2303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 5.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.700
        }
      ]
    },
    {
      "resolution_limits": [3.830,3.490],
      "number_observations_unique": 2107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 8.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.300
        }
      ]
    },
    {
      "resolution_limits": [4.280,3.830],
      "number_observations_unique": 1916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 13.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.900
        }
      ]
    },
    {
      "resolution_limits": [4.940,4.280],
      "number_observations_unique": 1707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 17.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.100
        }
      ]
    },
    {
      "resolution_limits": [6.050,4.940],
      "number_observations_unique": 1463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 17.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.300
        }
      ]
    },
    {
      "resolution_limits": [8.550,6.050],
      "number_observations_unique": 1148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "R(pim)",
          "value": 0.008
        },
        {
          "type": "I/SigI",
          "value": 22.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.400
        }
      ]
    },
    {
      "resolution_limits": [48.990,8.550],
      "number_observations_unique": 674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.017
        },
        {
          "type": "R(meas)",
          "value": 0.022
        },
        {
          "type": "R(pim)",
          "value": 0.005
        },
        {
          "type": "I/SigI",
          "value": 35.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 19.300
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.990 48.990 3.020
High resolution limit [Å] 2.705 8.550 2.850
R(merge) 0.0640 0.0170 0.3750
R(meas) 0.0690 0.0220 0.3950
R(pim) 0.0150 0.0050 0.0900
Completeness [%] 99.9 99.6 100.0
Multiplicity 19.7 19.3 19.0


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
48.990-8.550 0.0170 0.0220 0.0050 99.6 19.3
8.550-6.050 0.0290 0.0350 0.0080 100.0 18.4
6.050-4.940 0.0400 0.0440 0.0100 100.0 20.3
4.940-4.280 0.0390 0.0420 0.0090 100.0 20.1
4.280-3.830 0.0540 0.0580 0.0130 100.0 18.9
3.830-3.490 0.0850 0.0890 0.0200 100.0 20.3
3.490-3.230 0.1360 0.1430 0.0310 100.0 20.7
3.230-3.020 0.2160 0.2270 0.0510 100.0 19.8
3.020-2.850 0.3750 0.3950 0.0900 100.0 19.0
2.850-2.705 0.6240 0.6580 0.1480 99.5 19.3