Data quality metrics extracted from 4y5z.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": "5cbc76e54df653d5a50e24c740db6065",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 186.48,
    "b": 187.42,
    "c": 187.93,
    "alpha": 61.09,
    "beta": 89.24,
    "gamma": 60.20
  },
  "wavelengths": [0.95372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.92,2.950],
    "number_observations": 1255405,
    "number_observations_unique": 365689,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.176
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 6.600
      },
      {
        "type": "Completeness",
        "value": 94.100
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.110,2.950],
      "number_observations": 131461,
      "number_observations_unique": 48441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "R(pim)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 85.200
        },
        {
          "type": "Redundancy",
          "value": 2.700
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.110],
      "number_observations": 135868,
      "number_observations_unique": 47867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.317
        },
        {
          "type": "R(pim)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 89.100
        },
        {
          "type": "Redundancy",
          "value": 2.800
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.300],
      "number_observations": 143433,
      "number_observations_unique": 46778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "R(pim)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 3.300
        },
        {
          "type": "Completeness",
          "value": 92.600
        },
        {
          "type": "Redundancy",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.530],
      "number_observations": 152862,
      "number_observations_unique": 45202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "R(pim)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 4.400
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    },
    {
      "resolution_limits": [4.170,3.810],
      "number_observations": 157534,
      "number_observations_unique": 42323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(pim)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 5.000
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [4.660,4.170],
      "number_observations": 150954,
      "number_observations_unique": 38372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(pim)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    },
    {
      "resolution_limits": [5.390,4.660],
      "number_observations": 134839,
      "number_observations_unique": 33914,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 6.600
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [6.600,5.390],
      "number_observations": 113963,
      "number_observations_unique": 28643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(pim)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 6.000
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [9.330,6.600],
      "number_observations": 87732,
      "number_observations_unique": 22180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 6.500
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [41.916,9.330],
      "number_observations": 46759,
      "number_observations_unique": 11969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 6.600
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 41.920 41.916 3.300
High resolution limit [Å] 2.950 9.330 3.110
R(merge) 0.1490 0.0770 0.3170
R(meas) 0.1760 - -
R(pim) 0.0920 0.0450 0.2120
Completeness [%] 94.1 97.5 89.1
Multiplicity 3.4 3.9 2.8


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
41.916-9.330 0.0770 0.0450 97.5 3.9
9.330-6.600 0.0900 0.0530 98.7 4.0
6.600-5.390 0.1130 0.0650 98.6 4.0
5.390-4.660 0.1030 0.0590 98.4 4.0
4.660-4.170 0.1100 0.0640 98.3 3.9
4.170-3.810 0.1400 0.0840 97.9 3.7
3.810-3.530 0.1640 0.1040 96.3 3.4
3.530-3.300 0.2270 0.1490 92.6 3.1
3.300-3.110 0.3170 0.2120 89.1 2.8
3.110-2.950 0.4690 0.3150 85.2 2.7